N,N,4-trimethyl-2-[[2-[(3R)-thiolan-3-yl]oxypyridine-4-carbonyl]amino]-1,3-thiazole-5-carboxamide

C17H20N4O3S2 — CID 100734902

IUPACN,N,4-trimethyl-2-[[2-[(3R)-thiolan-3-yl]oxypyridine-4-carbonyl]amino]-1,3-thiazole-5-carboxamide
SMILESCc1nc(NC(=O)c2ccnc(O[C@@H]3CCSC3)c2)sc1C(=O)N(C)C
InChIInChI=1S/C17H20N4O3S2/c1-10-14(16(23)21(2)3)26-17(19-10)20-15(22)11-4-6-18-13(8-11)24-12-5-7-25-9-12/h4,6,8,12H,5,7,9H2,1-3H3,(H,19,20,22)/t12-/m1/s1
InChIKeyOXVFYLZFSGZYPO-GFCCVEGCSA-N
MW392.51 g/mol
LogP2.68
Rot. Bonds5

About N,N,4-trimethyl-2-[[2-[(3R)-thiolan-3-yl]oxypyridine-4-carbonyl]amino]-1,3-thiazole-5-carboxamide

N,N,4-trimethyl-2-[[2-[(3R)-thiolan-3-yl]oxypyridine-4-carbonyl]amino]-1,3-thiazole-5-carboxamide (PubChem CID 100734902) has the molecular formula C17H20N4O3S2 and a molecular weight of 392.51 g/mol. Its IUPAC name is N,N,4-trimethyl-2-[[2-[(3R)-thiolan-3-yl]oxypyridine-4-carbonyl]amino]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN,N,4-trimethyl-2-[[2-[(3R)-thiolan-3-yl]oxypyridine-4-carbonyl]amino]-1,3-thiazole-5-carboxamide
PubChem CID100734902
Molecular FormulaC17H20N4O3S2
Molecular Weight392.51 g/mol
Exact Mass392.10
IUPAC NameN,N,4-trimethyl-2-[[2-[(3R)-thiolan-3-yl]oxypyridine-4-carbonyl]amino]-1,3-thiazole-5-carboxamide
SMILESCc1nc(NC(=O)c2ccnc(O[C@@H]3CCSC3)c2)sc1C(=O)N(C)C
InChIInChI=1S/C17H20N4O3S2/c1-10-14(16(23)21(2)3)26-17(19-10)20-15(22)11-4-6-18-13(8-11)24-12-5-7-25-9-12/h4,6,8,12H,5,7,9H2,1-3H3,(H,19,20,22)/t12-/m1/s1
InChIKeyOXVFYLZFSGZYPO-GFCCVEGCSA-N
XLogP2.68
TPSA84.42 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.51
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-[(3R)-thiolan-3-yl]oxypyridine-4-carboxamide
CID 100734697
N-(5-methyl-1,3-thiazol-2-yl)-2-[(3S)-thiolan-3-yl]oxypyridine-4-carboxamide
CID 100735077
N-pyrimidin-2-yl-2-[(3S)-thiolan-3-yl]oxypyridine-4-carboxamide
CID 100734562
N-(3-methoxypropyl)-2-[(3R)-thiolan-3-yl]oxypyridine-4-carboxamide
CID 100733796
N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-2-[(3S)-thiolan-3-yl]oxypyridine-4-carboxamide
CID 124760779
N-(2,2-diethoxyethyl)-2-[(3S)-thiolan-3-yl]oxypyridine-4-carboxamide
CID 100733843
N-(4,5,6,7-tetrahydro-2,1-benzoxazol-3-yl)-2-(thiolan-3-yloxy)pyridine-4-carboxamide
CID 91815579
N-(2-bromo-4-fluorophenyl)-2-(thiolan-3-yloxy)pyridine-4-carboxamide
CID 91815685
N-(2-phenoxyethyl)-2-[(3S)-thiolan-3-yl]oxypyridine-4-carboxamide
CID 100735245
2-[(2,6-dichloropyridine-4-carbonyl)amino]-N,N,4-trimethyl-1,3-thiazole-5-carboxamide
CID 142147683
N-[[6-(diethylamino)-3-pyridinyl]methyl]-2-[(3R)-thiolan-3-yl]oxypyridine-4-carboxamide
CID 100735623
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[(3S)-thiolan-3-yl]oxypyridine-4-carboxamide
CID 100734053

Frequently Asked Questions

What is the IUPAC name of N,N,4-trimethyl-2-[[2-[(3R)-thiolan-3-yl]oxypyridine-4-carbonyl]amino]-1,3-thiazole-5-carboxamide?
The IUPAC name of N,N,4-trimethyl-2-[[2-[(3R)-thiolan-3-yl]oxypyridine-4-carbonyl]amino]-1,3-thiazole-5-carboxamide (CID 100734902) is N,N,4-trimethyl-2-[[2-[(3R)-thiolan-3-yl]oxypyridine-4-carbonyl]amino]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N,N,4-trimethyl-2-[[2-[(3R)-thiolan-3-yl]oxypyridine-4-carbonyl]amino]-1,3-thiazole-5-carboxamide?
The canonical SMILES for N,N,4-trimethyl-2-[[2-[(3R)-thiolan-3-yl]oxypyridine-4-carbonyl]amino]-1,3-thiazole-5-carboxamide is Cc1nc(NC(=O)c2ccnc(O[C@@H]3CCSC3)c2)sc1C(=O)N(C)C.
What is the InChIKey of N,N,4-trimethyl-2-[[2-[(3R)-thiolan-3-yl]oxypyridine-4-carbonyl]amino]-1,3-thiazole-5-carboxamide?
The InChIKey is OXVFYLZFSGZYPO-GFCCVEGCSA-N. The full InChI is InChI=1S/C17H20N4O3S2/c1-10-14(16(23)21(2)3)26-17(19-10)20-15(22)11-4-6-18-13(8-11)24-12-5-7-25-9-12/h4,6,8,12H,5,7,9H2,1-3H3,(H,19,20,22)/t12-/m1/s1.
What are the key properties of N,N,4-trimethyl-2-[[2-[(3R)-thiolan-3-yl]oxypyridine-4-carbonyl]amino]-1,3-thiazole-5-carboxamide?
N,N,4-trimethyl-2-[[2-[(3R)-thiolan-3-yl]oxypyridine-4-carbonyl]amino]-1,3-thiazole-5-carboxamide has a molecular weight of 392.51 g/mol, XLogP of 2.68, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,4-trimethyl-2-[[2-[(3R)-thiolan-3-yl]oxypyridine-4-carbonyl]amino]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 100734902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).