N-ethyl-3-[5-[[(1S)-1-(5-fluoro-3-pyridinyl)ethyl]amino]-2-methyl-[1,3]thiazolo[4,5-d]pyrimidine-7-carbonyl]imidazolidine-1-carboxamide

C20H23FN8O2S — CID 153461061

IUPACN-ethyl-3-[5-[[(1S)-1-(5-fluoro-3-pyridinyl)ethyl]amino]-2-methyl-[1,3]thiazolo[4,5-d]pyrimidine-7-carbonyl]imidazolidine-1-carboxamide
SMILESCCNC(=O)N1CCN(C(=O)c2nc(N[C@@H](C)c3cncc(F)c3)nc3nc(C)sc23)C1
InChIInChI=1S/C20H23FN8O2S/c1-4-23-20(31)29-6-5-28(10-29)18(30)15-16-17(25-12(3)32-16)27-19(26-15)24-11(2)13-7-14(21)9-22-8-13/h7-9,11H,4-6,10H2,1-3H3,(H,23,31)(H,24,26,27)/t11-/m0/s1
InChIKeyHLRWYVJZINEMAB-NSHDSACASA-N
MW458.52 g/mol
LogP2.55
Rot. Bonds5

About N-ethyl-3-[5-[[(1S)-1-(5-fluoro-3-pyridinyl)ethyl]amino]-2-methyl-[1,3]thiazolo[4,5-d]pyrimidine-7-carbonyl]imidazolidine-1-carboxamide

N-ethyl-3-[5-[[(1S)-1-(5-fluoro-3-pyridinyl)ethyl]amino]-2-methyl-[1,3]thiazolo[4,5-d]pyrimidine-7-carbonyl]imidazolidine-1-carboxamide (PubChem CID 153461061) has the molecular formula C20H23FN8O2S and a molecular weight of 458.52 g/mol. Its IUPAC name is N-ethyl-3-[5-[[(1S)-1-(5-fluoro-3-pyridinyl)ethyl]amino]-2-methyl-[1,3]thiazolo[4,5-d]pyrimidine-7-carbonyl]imidazolidine-1-carboxamide.

Molecular Properties

Compound NameN-ethyl-3-[5-[[(1S)-1-(5-fluoro-3-pyridinyl)ethyl]amino]-2-methyl-[1,3]thiazolo[4,5-d]pyrimidine-7-carbonyl]imidazolidine-1-carboxamide
PubChem CID153461061
Molecular FormulaC20H23FN8O2S
Molecular Weight458.52 g/mol
Exact Mass458.16
IUPAC NameN-ethyl-3-[5-[[(1S)-1-(5-fluoro-3-pyridinyl)ethyl]amino]-2-methyl-[1,3]thiazolo[4,5-d]pyrimidine-7-carbonyl]imidazolidine-1-carboxamide
SMILESCCNC(=O)N1CCN(C(=O)c2nc(N[C@@H](C)c3cncc(F)c3)nc3nc(C)sc23)C1
InChIInChI=1S/C20H23FN8O2S/c1-4-23-20(31)29-6-5-28(10-29)18(30)15-16-17(25-12(3)32-16)27-19(26-15)24-11(2)13-7-14(21)9-22-8-13/h7-9,11H,4-6,10H2,1-3H3,(H,23,31)(H,24,26,27)/t11-/m0/s1
InChIKeyHLRWYVJZINEMAB-NSHDSACASA-N
XLogP2.55
TPSA116.24 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.52
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze N-ethyl-3-[5-[[(1S)-1-(5-fluoro-3-pyridinyl)ethyl]amino]-2-methyl-[1,3]thiazolo[4,5-d]pyrimidine-7-carbonyl]imidazolidine-1-carboxamide with MolForge

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Related Compounds

(S)-[2-(1-Pyridin-3-yl-ethylamino)-thieno[3,2-d]pyrimidin-4-yl]-pyrrolidin-1-yl-methanone
CID 25230181
(+/-)-[2-(1-Pyridin-3-yl-ethylamino)-thieno[3,2-d]pyrimidin-4-yl]-pyrrolidin-1-yl-methanone
CID 25231166
{2-[(Pyridin-3-ylmethyl)-amino]-thieno[3,2-d]pyrimidin-4-yl}-pyrrolidin-1-yl-methanone
CID 25231168
2-phenyl-6-piperazin-1-yl-N-[2-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]pyrimidine-4-carboxamide
CID 25265679
2-amino-N-[(3-methyl-2-pyridinyl)methyl]-6-(4-methyl-1,3-thiazol-2-yl)pyrimidine-4-carboxamide
CID 46225677
N-[2-[[5-(6-amino-3-pyridinyl)-4-methyl-1,3-thiazol-2-yl]amino]-2-oxoethyl]-N-benzylpyridine-4-carboxamide
CID 71681728
1-Ethyl-3-[4-isopropyl-5-oxo-6-(tetrazolo[1,5-a]pyridin-6-yl)thiazolo[5,4-b]pyridin-2-yl]urea
CID 76325029
(R)-[2-(1-Pyridin-3-yl-ethylamino)-thieno[3,2-d]pyrimidin-4-yl]-pyrrolidin-1-yl-methanone
CID 25230180
N-[(1R)-4-amino-4-oxo-1-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-2-yl]butyl]-1-[(3,4-difluorophenyl)methyl]-2-oxopyridine-3-carboxamide
CID 24861117
N-[(1R)-2-acetamido-1-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-2-yl]ethyl]-1-[(3,4-difluorophenyl)methyl]-2-oxopyridine-3-carboxamide
CID 59362487
1-[(3,4-difluorophenyl)methyl]-2-oxo-N-[(1R)-1-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-2-yl]ethyl]pyridine-3-carboxamide
CID 59362645
1-[(3,4-difluorophenyl)methyl]-N-[4-(dimethylamino)-4-oxo-1-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-2-yl]butyl]-2-oxopyridine-3-carboxamide
CID 72270829

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-[5-[[(1S)-1-(5-fluoro-3-pyridinyl)ethyl]amino]-2-methyl-[1,3]thiazolo[4,5-d]pyrimidine-7-carbonyl]imidazolidine-1-carboxamide?
The IUPAC name of N-ethyl-3-[5-[[(1S)-1-(5-fluoro-3-pyridinyl)ethyl]amino]-2-methyl-[1,3]thiazolo[4,5-d]pyrimidine-7-carbonyl]imidazolidine-1-carboxamide (CID 153461061) is N-ethyl-3-[5-[[(1S)-1-(5-fluoro-3-pyridinyl)ethyl]amino]-2-methyl-[1,3]thiazolo[4,5-d]pyrimidine-7-carbonyl]imidazolidine-1-carboxamide.
What is the SMILES notation for N-ethyl-3-[5-[[(1S)-1-(5-fluoro-3-pyridinyl)ethyl]amino]-2-methyl-[1,3]thiazolo[4,5-d]pyrimidine-7-carbonyl]imidazolidine-1-carboxamide?
The canonical SMILES for N-ethyl-3-[5-[[(1S)-1-(5-fluoro-3-pyridinyl)ethyl]amino]-2-methyl-[1,3]thiazolo[4,5-d]pyrimidine-7-carbonyl]imidazolidine-1-carboxamide is CCNC(=O)N1CCN(C(=O)c2nc(N[C@@H](C)c3cncc(F)c3)nc3nc(C)sc23)C1.
What is the InChIKey of N-ethyl-3-[5-[[(1S)-1-(5-fluoro-3-pyridinyl)ethyl]amino]-2-methyl-[1,3]thiazolo[4,5-d]pyrimidine-7-carbonyl]imidazolidine-1-carboxamide?
The InChIKey is HLRWYVJZINEMAB-NSHDSACASA-N. The full InChI is InChI=1S/C20H23FN8O2S/c1-4-23-20(31)29-6-5-28(10-29)18(30)15-16-17(25-12(3)32-16)27-19(26-15)24-11(2)13-7-14(21)9-22-8-13/h7-9,11H,4-6,10H2,1-3H3,(H,23,31)(H,24,26,27)/t11-/m0/s1.
What are the key properties of N-ethyl-3-[5-[[(1S)-1-(5-fluoro-3-pyridinyl)ethyl]amino]-2-methyl-[1,3]thiazolo[4,5-d]pyrimidine-7-carbonyl]imidazolidine-1-carboxamide?
N-ethyl-3-[5-[[(1S)-1-(5-fluoro-3-pyridinyl)ethyl]amino]-2-methyl-[1,3]thiazolo[4,5-d]pyrimidine-7-carbonyl]imidazolidine-1-carboxamide has a molecular weight of 458.52 g/mol, XLogP of 2.55, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-[5-[[(1S)-1-(5-fluoro-3-pyridinyl)ethyl]amino]-2-methyl-[1,3]thiazolo[4,5-d]pyrimidine-7-carbonyl]imidazolidine-1-carboxamide is sourced from PubChem (CID 153461061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).