formic acid;N-[(1S,2S,4S)-2-hydroxy-4-(1H-1,2,4-triazol-5-ylmethylcarbamoyl)cyclopentyl]-2-propyl-1,3-thiazole-4-carboxamide

C17H24N6O5S — CID 163340992

IUPACformic acid;N-[(1S,2S,4S)-2-hydroxy-4-(1H-1,2,4-triazol-5-ylmethylcarbamoyl)cyclopentyl]-2-propyl-1,3-thiazole-4-carboxamide
SMILESCCCc1nc(C(=O)N[C@H]2C[C@H](C(=O)NCc3ncn[nH]3)C[C@@H]2O)cs1.O=CO
InChIInChI=1S/C16H22N6O3S.CH2O2/c1-2-3-14-20-11(7-26-14)16(25)21-10-4-9(5-12(10)23)15(24)17-6-13-18-8-19-22-13;2-1-3/h7-10,12,23H,2-6H2,1H3,(H,17,24)(H,21,25)(H,18,19,22);1H,(H,2,3)/t9-,10-,12-;/m0./s1
InChIKeyWZSIFHUVXXYXCP-SVMJMOIZSA-N
MW424.48 g/mol
LogP0.10
Rot. Bonds7

About formic acid;N-[(1S,2S,4S)-2-hydroxy-4-(1H-1,2,4-triazol-5-ylmethylcarbamoyl)cyclopentyl]-2-propyl-1,3-thiazole-4-carboxamide

formic acid;N-[(1S,2S,4S)-2-hydroxy-4-(1H-1,2,4-triazol-5-ylmethylcarbamoyl)cyclopentyl]-2-propyl-1,3-thiazole-4-carboxamide (PubChem CID 163340992) has the molecular formula C17H24N6O5S and a molecular weight of 424.48 g/mol. Its IUPAC name is formic acid;N-[(1S,2S,4S)-2-hydroxy-4-(1H-1,2,4-triazol-5-ylmethylcarbamoyl)cyclopentyl]-2-propyl-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Nameformic acid;N-[(1S,2S,4S)-2-hydroxy-4-(1H-1,2,4-triazol-5-ylmethylcarbamoyl)cyclopentyl]-2-propyl-1,3-thiazole-4-carboxamide
PubChem CID163340992
Molecular FormulaC17H24N6O5S
Molecular Weight424.48 g/mol
Exact Mass424.15
IUPAC Nameformic acid;N-[(1S,2S,4S)-2-hydroxy-4-(1H-1,2,4-triazol-5-ylmethylcarbamoyl)cyclopentyl]-2-propyl-1,3-thiazole-4-carboxamide
SMILESCCCc1nc(C(=O)N[C@H]2C[C@H](C(=O)NCc3ncn[nH]3)C[C@@H]2O)cs1.O=CO
InChIInChI=1S/C16H22N6O3S.CH2O2/c1-2-3-14-20-11(7-26-14)16(25)21-10-4-9(5-12(10)23)15(24)17-6-13-18-8-19-22-13;2-1-3/h7-10,12,23H,2-6H2,1H3,(H,17,24)(H,21,25)(H,18,19,22);1H,(H,2,3)/t9-,10-,12-;/m0./s1
InChIKeyWZSIFHUVXXYXCP-SVMJMOIZSA-N
XLogP0.10
TPSA170.19 Ų
H-Bond Donors5
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.48
LogP ≤ 50.10
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

Analyze formic acid;N-[(1S,2S,4S)-2-hydroxy-4-(1H-1,2,4-triazol-5-ylmethylcarbamoyl)cyclopentyl]-2-propyl-1,3-thiazole-4-carboxamide with MolForge

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Related Compounds

N-(rel-(1S,2S,4S)-2-hydroxy-4-{[(1H-1,2,4-triazol-3-ylmethyl)amino]carbonyl}cyclopentyl)-2-propyl-1,3-thiazole-4-carboxamide formate
CID 157016165
N-[rel-(1S,2S,4S)-4-({[2-(4-ethyl-4H-1,2,4-triazol-3-yl)ethyl]amino}carbonyl)-2-hydroxycyclopentyl]-1,3-thiazole-4-carboxamide formate
CID 165427905
N-[(1S,2S,4S)-4-[2-(4-ethyl-1,2,4-triazol-3-yl)ethylcarbamoyl]-2-hydroxycyclopentyl]-1,3-thiazole-4-carboxamide;formic acid
CID 166598788

Frequently Asked Questions

What is the IUPAC name of formic acid;N-[(1S,2S,4S)-2-hydroxy-4-(1H-1,2,4-triazol-5-ylmethylcarbamoyl)cyclopentyl]-2-propyl-1,3-thiazole-4-carboxamide?
The IUPAC name of formic acid;N-[(1S,2S,4S)-2-hydroxy-4-(1H-1,2,4-triazol-5-ylmethylcarbamoyl)cyclopentyl]-2-propyl-1,3-thiazole-4-carboxamide (CID 163340992) is formic acid;N-[(1S,2S,4S)-2-hydroxy-4-(1H-1,2,4-triazol-5-ylmethylcarbamoyl)cyclopentyl]-2-propyl-1,3-thiazole-4-carboxamide.
What is the SMILES notation for formic acid;N-[(1S,2S,4S)-2-hydroxy-4-(1H-1,2,4-triazol-5-ylmethylcarbamoyl)cyclopentyl]-2-propyl-1,3-thiazole-4-carboxamide?
The canonical SMILES for formic acid;N-[(1S,2S,4S)-2-hydroxy-4-(1H-1,2,4-triazol-5-ylmethylcarbamoyl)cyclopentyl]-2-propyl-1,3-thiazole-4-carboxamide is CCCc1nc(C(=O)N[C@H]2C[C@H](C(=O)NCc3ncn[nH]3)C[C@@H]2O)cs1.O=CO.
What is the InChIKey of formic acid;N-[(1S,2S,4S)-2-hydroxy-4-(1H-1,2,4-triazol-5-ylmethylcarbamoyl)cyclopentyl]-2-propyl-1,3-thiazole-4-carboxamide?
The InChIKey is WZSIFHUVXXYXCP-SVMJMOIZSA-N. The full InChI is InChI=1S/C16H22N6O3S.CH2O2/c1-2-3-14-20-11(7-26-14)16(25)21-10-4-9(5-12(10)23)15(24)17-6-13-18-8-19-22-13;2-1-3/h7-10,12,23H,2-6H2,1H3,(H,17,24)(H,21,25)(H,18,19,22);1H,(H,2,3)/t9-,10-,12-;/m0./s1.
What are the key properties of formic acid;N-[(1S,2S,4S)-2-hydroxy-4-(1H-1,2,4-triazol-5-ylmethylcarbamoyl)cyclopentyl]-2-propyl-1,3-thiazole-4-carboxamide?
formic acid;N-[(1S,2S,4S)-2-hydroxy-4-(1H-1,2,4-triazol-5-ylmethylcarbamoyl)cyclopentyl]-2-propyl-1,3-thiazole-4-carboxamide has a molecular weight of 424.48 g/mol, XLogP of 0.10, 7 rotatable bonds, 5 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for formic acid;N-[(1S,2S,4S)-2-hydroxy-4-(1H-1,2,4-triazol-5-ylmethylcarbamoyl)cyclopentyl]-2-propyl-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 163340992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).