N-[(1S)-1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-2-(3-methyl-2-oxoimidazolidin-1-yl)acetamide

C13H20N4O2S — CID 125171350

IUPACN-[(1S)-1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-2-(3-methyl-2-oxoimidazolidin-1-yl)acetamide
SMILESCc1nc([C@H](C)NC(=O)CN2CCN(C)C2=O)c(C)s1
InChIInChI=1S/C13H20N4O2S/c1-8(12-9(2)20-10(3)15-12)14-11(18)7-17-6-5-16(4)13(17)19/h8H,5-7H2,1-4H3,(H,14,18)/t8-/m0/s1
InChIKeyRQNYLSVFUGCANO-QMMMGPOBSA-N
MW296.40 g/mol
LogP1.30
Rot. Bonds4

About N-[(1S)-1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-2-(3-methyl-2-oxoimidazolidin-1-yl)acetamide

N-[(1S)-1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-2-(3-methyl-2-oxoimidazolidin-1-yl)acetamide (PubChem CID 125171350) has the molecular formula C13H20N4O2S and a molecular weight of 296.40 g/mol. Its IUPAC name is N-[(1S)-1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-2-(3-methyl-2-oxoimidazolidin-1-yl)acetamide.

Molecular Properties

Compound NameN-[(1S)-1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-2-(3-methyl-2-oxoimidazolidin-1-yl)acetamide
PubChem CID125171350
Molecular FormulaC13H20N4O2S
Molecular Weight296.40 g/mol
Exact Mass296.13
IUPAC NameN-[(1S)-1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-2-(3-methyl-2-oxoimidazolidin-1-yl)acetamide
SMILESCc1nc([C@H](C)NC(=O)CN2CCN(C)C2=O)c(C)s1
InChIInChI=1S/C13H20N4O2S/c1-8(12-9(2)20-10(3)15-12)14-11(18)7-17-6-5-16(4)13(17)19/h8H,5-7H2,1-4H3,(H,14,18)/t8-/m0/s1
InChIKeyRQNYLSVFUGCANO-QMMMGPOBSA-N
XLogP1.30
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.40
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(4-Ethyl-5-methyl-1,3-thiazol-2-yl)ethyl]-3-(1-propan-2-ylpyrrolidin-3-yl)urea
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N~2~-[(dimethylamino)carbonyl]-N~1~-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]glycinamide
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2-(2,5-Dimethyl-1,3-thiazol-4-YL)-N-[2-(2-oxoimidazolidin-1-YL)ethyl]acetamide
CID 91831429
N-[(1S)-1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-N,4-dimethylpiperazine-1-carboxamide
CID 95716547
2-(2,4-dioxoimidazolidin-1-yl)-N-[(4S)-2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-yl]acetamide
CID 100008434
N-ethyl-3-[1-(2-ethyl-4-methyl-1,3-thiazol-5-yl)ethylamino]pyrrolidine-1-carboxamide
CID 119039277
3-[2-[[(7S)-2-ethyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-yl]amino]ethyl]imidazolidine-2,4-dione
CID 124575636
1-[(1S)-1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-3-(2-methoxy-2-methylpropyl)-1-methylurea
CID 126426040
2-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]-N-(2,2,2-trifluoroethyl)acetamide
CID 61492137
N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2-(2,2,2-trifluoroethylamino)acetamide
CID 78924296
2-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]-N-(2,2,2-trifluoroethyl)propanamide
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Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-2-(3-methyl-2-oxoimidazolidin-1-yl)acetamide?
The IUPAC name of N-[(1S)-1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-2-(3-methyl-2-oxoimidazolidin-1-yl)acetamide (CID 125171350) is N-[(1S)-1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-2-(3-methyl-2-oxoimidazolidin-1-yl)acetamide.
What is the SMILES notation for N-[(1S)-1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-2-(3-methyl-2-oxoimidazolidin-1-yl)acetamide?
The canonical SMILES for N-[(1S)-1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-2-(3-methyl-2-oxoimidazolidin-1-yl)acetamide is Cc1nc([C@H](C)NC(=O)CN2CCN(C)C2=O)c(C)s1.
What is the InChIKey of N-[(1S)-1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-2-(3-methyl-2-oxoimidazolidin-1-yl)acetamide?
The InChIKey is RQNYLSVFUGCANO-QMMMGPOBSA-N. The full InChI is InChI=1S/C13H20N4O2S/c1-8(12-9(2)20-10(3)15-12)14-11(18)7-17-6-5-16(4)13(17)19/h8H,5-7H2,1-4H3,(H,14,18)/t8-/m0/s1.
What are the key properties of N-[(1S)-1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-2-(3-methyl-2-oxoimidazolidin-1-yl)acetamide?
N-[(1S)-1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-2-(3-methyl-2-oxoimidazolidin-1-yl)acetamide has a molecular weight of 296.40 g/mol, XLogP of 1.30, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-2-(3-methyl-2-oxoimidazolidin-1-yl)acetamide is sourced from PubChem (CID 125171350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).