N-(5-methyl-1,3,4-thiadiazol-2-yl)-4-(tetrazol-1-ylmethyl)cyclohexane-1-carboxamide

C12H17N7OS — CID 51043081

IUPACN-(5-methyl-1,3,4-thiadiazol-2-yl)-4-(tetrazol-1-ylmethyl)cyclohexane-1-carboxamide
SMILESCc1nnc(NC(=O)C2CCC(Cn3cnnn3)CC2)s1
InChIInChI=1S/C12H17N7OS/c1-8-15-16-12(21-8)14-11(20)10-4-2-9(3-5-10)6-19-7-13-17-18-19/h7,9-10H,2-6H2,1H3,(H,14,16,20)
InChIKeyRTMHUIFZEMLHNO-UHFFFAOYSA-N
MW307.38 g/mol
LogP1.28
Rot. Bonds4

About N-(5-methyl-1,3,4-thiadiazol-2-yl)-4-(tetrazol-1-ylmethyl)cyclohexane-1-carboxamide

N-(5-methyl-1,3,4-thiadiazol-2-yl)-4-(tetrazol-1-ylmethyl)cyclohexane-1-carboxamide (PubChem CID 51043081) has the molecular formula C12H17N7OS and a molecular weight of 307.38 g/mol. Its IUPAC name is N-(5-methyl-1,3,4-thiadiazol-2-yl)-4-(tetrazol-1-ylmethyl)cyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-(5-methyl-1,3,4-thiadiazol-2-yl)-4-(tetrazol-1-ylmethyl)cyclohexane-1-carboxamide
PubChem CID51043081
Molecular FormulaC12H17N7OS
Molecular Weight307.38 g/mol
Exact Mass307.12
IUPAC NameN-(5-methyl-1,3,4-thiadiazol-2-yl)-4-(tetrazol-1-ylmethyl)cyclohexane-1-carboxamide
SMILESCc1nnc(NC(=O)C2CCC(Cn3cnnn3)CC2)s1
InChIInChI=1S/C12H17N7OS/c1-8-15-16-12(21-8)14-11(20)10-4-2-9(3-5-10)6-19-7-13-17-18-19/h7,9-10H,2-6H2,1H3,(H,14,16,20)
InChIKeyRTMHUIFZEMLHNO-UHFFFAOYSA-N
XLogP1.28
TPSA98.48 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.38
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-(5-methyl-1,3,4-thiadiazol-2-yl)-4-(tetrazol-1-ylmethyl)cyclohexane-1-carboxamide?
The IUPAC name of N-(5-methyl-1,3,4-thiadiazol-2-yl)-4-(tetrazol-1-ylmethyl)cyclohexane-1-carboxamide (CID 51043081) is N-(5-methyl-1,3,4-thiadiazol-2-yl)-4-(tetrazol-1-ylmethyl)cyclohexane-1-carboxamide.
What is the SMILES notation for N-(5-methyl-1,3,4-thiadiazol-2-yl)-4-(tetrazol-1-ylmethyl)cyclohexane-1-carboxamide?
The canonical SMILES for N-(5-methyl-1,3,4-thiadiazol-2-yl)-4-(tetrazol-1-ylmethyl)cyclohexane-1-carboxamide is Cc1nnc(NC(=O)C2CCC(Cn3cnnn3)CC2)s1.
What is the InChIKey of N-(5-methyl-1,3,4-thiadiazol-2-yl)-4-(tetrazol-1-ylmethyl)cyclohexane-1-carboxamide?
The InChIKey is RTMHUIFZEMLHNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N7OS/c1-8-15-16-12(21-8)14-11(20)10-4-2-9(3-5-10)6-19-7-13-17-18-19/h7,9-10H,2-6H2,1H3,(H,14,16,20).
What are the key properties of N-(5-methyl-1,3,4-thiadiazol-2-yl)-4-(tetrazol-1-ylmethyl)cyclohexane-1-carboxamide?
N-(5-methyl-1,3,4-thiadiazol-2-yl)-4-(tetrazol-1-ylmethyl)cyclohexane-1-carboxamide has a molecular weight of 307.38 g/mol, XLogP of 1.28, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methyl-1,3,4-thiadiazol-2-yl)-4-(tetrazol-1-ylmethyl)cyclohexane-1-carboxamide is sourced from PubChem (CID 51043081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).