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

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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).