N-[(1R,3S)-3-[[(3-methyltriazole-4-carbonyl)amino]methyl]cyclopentyl]thiadiazole-5-carboxamide

C13H17N7O2S — CID 167766162

IUPACN-[(1R,3S)-3-[[(3-methyltriazole-4-carbonyl)amino]methyl]cyclopentyl]thiadiazole-5-carboxamide
SMILESCn1nncc1C(=O)NC[C@H]1CC[C@@H](NC(=O)c2cnns2)C1
InChIInChI=1S/C13H17N7O2S/c1-20-10(6-15-18-20)12(21)14-5-8-2-3-9(4-8)17-13(22)11-7-16-19-23-11/h6-9H,2-5H2,1H3,(H,14,21)(H,17,22)/t8-,9+/m0/s1
InChIKeyAKSXMJMUBCFLRD-DTWKUNHWSA-N
MW335.39 g/mol
LogP-0.00
Rot. Bonds5

About N-[(1R,3S)-3-[[(3-methyltriazole-4-carbonyl)amino]methyl]cyclopentyl]thiadiazole-5-carboxamide

N-[(1R,3S)-3-[[(3-methyltriazole-4-carbonyl)amino]methyl]cyclopentyl]thiadiazole-5-carboxamide (PubChem CID 167766162) has the molecular formula C13H17N7O2S and a molecular weight of 335.39 g/mol. Its IUPAC name is N-[(1R,3S)-3-[[(3-methyltriazole-4-carbonyl)amino]methyl]cyclopentyl]thiadiazole-5-carboxamide.

Molecular Properties

Compound NameN-[(1R,3S)-3-[[(3-methyltriazole-4-carbonyl)amino]methyl]cyclopentyl]thiadiazole-5-carboxamide
PubChem CID167766162
Molecular FormulaC13H17N7O2S
Molecular Weight335.39 g/mol
Exact Mass335.12
IUPAC NameN-[(1R,3S)-3-[[(3-methyltriazole-4-carbonyl)amino]methyl]cyclopentyl]thiadiazole-5-carboxamide
SMILESCn1nncc1C(=O)NC[C@H]1CC[C@@H](NC(=O)c2cnns2)C1
InChIInChI=1S/C13H17N7O2S/c1-20-10(6-15-18-20)12(21)14-5-8-2-3-9(4-8)17-13(22)11-7-16-19-23-11/h6-9H,2-5H2,1H3,(H,14,21)(H,17,22)/t8-,9+/m0/s1
InChIKeyAKSXMJMUBCFLRD-DTWKUNHWSA-N
XLogP-0.00
TPSA114.69 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.39
LogP ≤ 5-0.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[(1R,3S)-3-[[(3-methyltriazole-4-carbonyl)amino]methyl]cyclopentyl]thiadiazole-5-carboxamide?
The IUPAC name of N-[(1R,3S)-3-[[(3-methyltriazole-4-carbonyl)amino]methyl]cyclopentyl]thiadiazole-5-carboxamide (CID 167766162) is N-[(1R,3S)-3-[[(3-methyltriazole-4-carbonyl)amino]methyl]cyclopentyl]thiadiazole-5-carboxamide.
What is the SMILES notation for N-[(1R,3S)-3-[[(3-methyltriazole-4-carbonyl)amino]methyl]cyclopentyl]thiadiazole-5-carboxamide?
The canonical SMILES for N-[(1R,3S)-3-[[(3-methyltriazole-4-carbonyl)amino]methyl]cyclopentyl]thiadiazole-5-carboxamide is Cn1nncc1C(=O)NC[C@H]1CC[C@@H](NC(=O)c2cnns2)C1.
What is the InChIKey of N-[(1R,3S)-3-[[(3-methyltriazole-4-carbonyl)amino]methyl]cyclopentyl]thiadiazole-5-carboxamide?
The InChIKey is AKSXMJMUBCFLRD-DTWKUNHWSA-N. The full InChI is InChI=1S/C13H17N7O2S/c1-20-10(6-15-18-20)12(21)14-5-8-2-3-9(4-8)17-13(22)11-7-16-19-23-11/h6-9H,2-5H2,1H3,(H,14,21)(H,17,22)/t8-,9+/m0/s1.
What are the key properties of N-[(1R,3S)-3-[[(3-methyltriazole-4-carbonyl)amino]methyl]cyclopentyl]thiadiazole-5-carboxamide?
N-[(1R,3S)-3-[[(3-methyltriazole-4-carbonyl)amino]methyl]cyclopentyl]thiadiazole-5-carboxamide has a molecular weight of 335.39 g/mol, XLogP of -0.00, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,3S)-3-[[(3-methyltriazole-4-carbonyl)amino]methyl]cyclopentyl]thiadiazole-5-carboxamide is sourced from PubChem (CID 167766162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).