2-(cyclopropylamino)-N-[(1S)-2-methoxy-1-[(2S)-oxolan-2-yl]ethyl]-1,3-thiazole-4-carboxamide

C14H21N3O3S — CID 100735934

IUPAC2-(cyclopropylamino)-N-[(1S)-2-methoxy-1-[(2S)-oxolan-2-yl]ethyl]-1,3-thiazole-4-carboxamide
SMILESCOC[C@H](NC(=O)c1csc(NC2CC2)n1)[C@@H]1CCCO1
InChIInChI=1S/C14H21N3O3S/c1-19-7-10(12-3-2-6-20-12)16-13(18)11-8-21-14(17-11)15-9-4-5-9/h8-10,12H,2-7H2,1H3,(H,15,17)(H,16,18)/t10-,12-/m0/s1
InChIKeyXJZGKJVLVKQPMY-JQWIXIFHSA-N
MW311.41 g/mol
LogP1.64
Rot. Bonds7

About 2-(cyclopropylamino)-N-[(1S)-2-methoxy-1-[(2S)-oxolan-2-yl]ethyl]-1,3-thiazole-4-carboxamide

2-(cyclopropylamino)-N-[(1S)-2-methoxy-1-[(2S)-oxolan-2-yl]ethyl]-1,3-thiazole-4-carboxamide (PubChem CID 100735934) has the molecular formula C14H21N3O3S and a molecular weight of 311.41 g/mol. Its IUPAC name is 2-(cyclopropylamino)-N-[(1S)-2-methoxy-1-[(2S)-oxolan-2-yl]ethyl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-(cyclopropylamino)-N-[(1S)-2-methoxy-1-[(2S)-oxolan-2-yl]ethyl]-1,3-thiazole-4-carboxamide
PubChem CID100735934
Molecular FormulaC14H21N3O3S
Molecular Weight311.41 g/mol
Exact Mass311.13
IUPAC Name2-(cyclopropylamino)-N-[(1S)-2-methoxy-1-[(2S)-oxolan-2-yl]ethyl]-1,3-thiazole-4-carboxamide
SMILESCOC[C@H](NC(=O)c1csc(NC2CC2)n1)[C@@H]1CCCO1
InChIInChI=1S/C14H21N3O3S/c1-19-7-10(12-3-2-6-20-12)16-13(18)11-8-21-14(17-11)15-9-4-5-9/h8-10,12H,2-7H2,1H3,(H,15,17)(H,16,18)/t10-,12-/m0/s1
InChIKeyXJZGKJVLVKQPMY-JQWIXIFHSA-N
XLogP1.64
TPSA72.48 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.41
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-(cyclopropylamino)-N-[(1S)-2-methoxy-1-[(2S)-oxolan-2-yl]ethyl]-1,3-thiazole-4-carboxamide with MolForge

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Related Compounds

2-acetamido-N-[(1R)-1-[(2R)-oxolan-2-yl]ethyl]-1,3-thiazole-4-carboxamide
CID 35262964
4-chloro-3-hydroxy-N-[2-methoxy-1-(oxolan-2-yl)ethyl]benzamide
CID 154846082
2-(aminomethyl)-N-[1-(oxolan-2-yl)ethyl]-1,3-thiazole-4-carboxamide
CID 66376260
4-chloro-N-[(1S)-2-methoxy-1-[(2R)-oxolan-2-yl]ethyl]-2-methylbenzamide
CID 129479879
2-(cyclopentylamino)-N-[5-(oxolan-2-yl)-1,3,4-thiadiazol-2-yl]-1,3-thiazole-4-carboxamide
CID 51043970
azepan-1-yl-[2-(cyclopropylamino)-1,3-thiazol-4-yl]methanone
CID 71702866
methyl 3-[2-(cyclopropylamino)-1,3-thiazol-4-yl]propanoate
CID 107039853
2-acetamido-N-[(2R)-1-methoxypropan-2-yl]-1,3-thiazole-4-carboxamide
CID 39900328
N-[(2S)-1-hydroxy-4-methylpentan-2-yl]-2-[(2S)-oxolan-2-yl]-1,3-thiazole-4-carboxamide
CID 97331883
2-(aminomethyl)-N-[oxolan-2-yl(phenyl)methyl]-1,3-thiazole-4-carboxamide;hydrochloride
CID 119757405
N-[2-methoxy-1-(oxolan-2-yl)ethyl]-2-[2-(2,2,2-trifluoroethoxy)phenoxy]acetamide
CID 119036778
methyl 2-[(2-methyloxolan-3-yl)amino]-1,3-thiazole-4-carboxylate
CID 82736702

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylamino)-N-[(1S)-2-methoxy-1-[(2S)-oxolan-2-yl]ethyl]-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-(cyclopropylamino)-N-[(1S)-2-methoxy-1-[(2S)-oxolan-2-yl]ethyl]-1,3-thiazole-4-carboxamide (CID 100735934) is 2-(cyclopropylamino)-N-[(1S)-2-methoxy-1-[(2S)-oxolan-2-yl]ethyl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-(cyclopropylamino)-N-[(1S)-2-methoxy-1-[(2S)-oxolan-2-yl]ethyl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-(cyclopropylamino)-N-[(1S)-2-methoxy-1-[(2S)-oxolan-2-yl]ethyl]-1,3-thiazole-4-carboxamide is COC[C@H](NC(=O)c1csc(NC2CC2)n1)[C@@H]1CCCO1.
What is the InChIKey of 2-(cyclopropylamino)-N-[(1S)-2-methoxy-1-[(2S)-oxolan-2-yl]ethyl]-1,3-thiazole-4-carboxamide?
The InChIKey is XJZGKJVLVKQPMY-JQWIXIFHSA-N. The full InChI is InChI=1S/C14H21N3O3S/c1-19-7-10(12-3-2-6-20-12)16-13(18)11-8-21-14(17-11)15-9-4-5-9/h8-10,12H,2-7H2,1H3,(H,15,17)(H,16,18)/t10-,12-/m0/s1.
What are the key properties of 2-(cyclopropylamino)-N-[(1S)-2-methoxy-1-[(2S)-oxolan-2-yl]ethyl]-1,3-thiazole-4-carboxamide?
2-(cyclopropylamino)-N-[(1S)-2-methoxy-1-[(2S)-oxolan-2-yl]ethyl]-1,3-thiazole-4-carboxamide has a molecular weight of 311.41 g/mol, XLogP of 1.64, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylamino)-N-[(1S)-2-methoxy-1-[(2S)-oxolan-2-yl]ethyl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 100735934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).