1-[(1R,2R)-2-(1H-imidazol-5-yl)cyclopropanecarbonyl]-N-(1,3-thiazol-2-yl)azetidine-3-carboxamide

C14H15N5O2S — CID 167767670

IUPAC1-[(1R,2R)-2-(1H-imidazol-5-yl)cyclopropanecarbonyl]-N-(1,3-thiazol-2-yl)azetidine-3-carboxamide
SMILESO=C(Nc1nccs1)C1CN(C(=O)[C@@H]2C[C@H]2c2cnc[nH]2)C1
InChIInChI=1S/C14H15N5O2S/c20-12(18-14-16-1-2-22-14)8-5-19(6-8)13(21)10-3-9(10)11-4-15-7-17-11/h1-2,4,7-10H,3,5-6H2,(H,15,17)(H,16,18,20)/t9-,10-/m1/s1
InChIKeySMLNNADXKPVCFX-NXEZZACHSA-N
MW317.37 g/mol
LogP1.07
Rot. Bonds4

About 1-[(1R,2R)-2-(1H-imidazol-5-yl)cyclopropanecarbonyl]-N-(1,3-thiazol-2-yl)azetidine-3-carboxamide

1-[(1R,2R)-2-(1H-imidazol-5-yl)cyclopropanecarbonyl]-N-(1,3-thiazol-2-yl)azetidine-3-carboxamide (PubChem CID 167767670) has the molecular formula C14H15N5O2S and a molecular weight of 317.37 g/mol. Its IUPAC name is 1-[(1R,2R)-2-(1H-imidazol-5-yl)cyclopropanecarbonyl]-N-(1,3-thiazol-2-yl)azetidine-3-carboxamide.

Molecular Properties

Compound Name1-[(1R,2R)-2-(1H-imidazol-5-yl)cyclopropanecarbonyl]-N-(1,3-thiazol-2-yl)azetidine-3-carboxamide
PubChem CID167767670
Molecular FormulaC14H15N5O2S
Molecular Weight317.37 g/mol
Exact Mass317.09
IUPAC Name1-[(1R,2R)-2-(1H-imidazol-5-yl)cyclopropanecarbonyl]-N-(1,3-thiazol-2-yl)azetidine-3-carboxamide
SMILESO=C(Nc1nccs1)C1CN(C(=O)[C@@H]2C[C@H]2c2cnc[nH]2)C1
InChIInChI=1S/C14H15N5O2S/c20-12(18-14-16-1-2-22-14)8-5-19(6-8)13(21)10-3-9(10)11-4-15-7-17-11/h1-2,4,7-10H,3,5-6H2,(H,15,17)(H,16,18,20)/t9-,10-/m1/s1
InChIKeySMLNNADXKPVCFX-NXEZZACHSA-N
XLogP1.07
TPSA90.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.37
LogP ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[(1R,2R)-2-(1H-imidazol-5-yl)cyclopropanecarbonyl]-N-(1,3-thiazol-2-yl)azetidine-3-carboxamide?
The IUPAC name of 1-[(1R,2R)-2-(1H-imidazol-5-yl)cyclopropanecarbonyl]-N-(1,3-thiazol-2-yl)azetidine-3-carboxamide (CID 167767670) is 1-[(1R,2R)-2-(1H-imidazol-5-yl)cyclopropanecarbonyl]-N-(1,3-thiazol-2-yl)azetidine-3-carboxamide.
What is the SMILES notation for 1-[(1R,2R)-2-(1H-imidazol-5-yl)cyclopropanecarbonyl]-N-(1,3-thiazol-2-yl)azetidine-3-carboxamide?
The canonical SMILES for 1-[(1R,2R)-2-(1H-imidazol-5-yl)cyclopropanecarbonyl]-N-(1,3-thiazol-2-yl)azetidine-3-carboxamide is O=C(Nc1nccs1)C1CN(C(=O)[C@@H]2C[C@H]2c2cnc[nH]2)C1.
What is the InChIKey of 1-[(1R,2R)-2-(1H-imidazol-5-yl)cyclopropanecarbonyl]-N-(1,3-thiazol-2-yl)azetidine-3-carboxamide?
The InChIKey is SMLNNADXKPVCFX-NXEZZACHSA-N. The full InChI is InChI=1S/C14H15N5O2S/c20-12(18-14-16-1-2-22-14)8-5-19(6-8)13(21)10-3-9(10)11-4-15-7-17-11/h1-2,4,7-10H,3,5-6H2,(H,15,17)(H,16,18,20)/t9-,10-/m1/s1.
What are the key properties of 1-[(1R,2R)-2-(1H-imidazol-5-yl)cyclopropanecarbonyl]-N-(1,3-thiazol-2-yl)azetidine-3-carboxamide?
1-[(1R,2R)-2-(1H-imidazol-5-yl)cyclopropanecarbonyl]-N-(1,3-thiazol-2-yl)azetidine-3-carboxamide has a molecular weight of 317.37 g/mol, XLogP of 1.07, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R,2R)-2-(1H-imidazol-5-yl)cyclopropanecarbonyl]-N-(1,3-thiazol-2-yl)azetidine-3-carboxamide is sourced from PubChem (CID 167767670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).