N-cycloheptyl-4,5-dimethyl-2-(tetrazol-1-yl)thiophene-3-carboxamide

C15H21N5OS — CID 45492077

IUPACN-cycloheptyl-4,5-dimethyl-2-(tetrazol-1-yl)thiophene-3-carboxamide
SMILESCc1sc(-n2cnnn2)c(C(=O)NC2CCCCCC2)c1C
InChIInChI=1S/C15H21N5OS/c1-10-11(2)22-15(20-9-16-18-19-20)13(10)14(21)17-12-7-5-3-4-6-8-12/h9,12H,3-8H2,1-2H3,(H,17,21)
InChIKeyMHIRYTKRHIGYCI-UHFFFAOYSA-N
MW319.43 g/mol
LogP2.79
Rot. Bonds3

About N-cycloheptyl-4,5-dimethyl-2-(tetrazol-1-yl)thiophene-3-carboxamide

N-cycloheptyl-4,5-dimethyl-2-(tetrazol-1-yl)thiophene-3-carboxamide (PubChem CID 45492077) has the molecular formula C15H21N5OS and a molecular weight of 319.43 g/mol. Its IUPAC name is N-cycloheptyl-4,5-dimethyl-2-(tetrazol-1-yl)thiophene-3-carboxamide.

Molecular Properties

Compound NameN-cycloheptyl-4,5-dimethyl-2-(tetrazol-1-yl)thiophene-3-carboxamide
PubChem CID45492077
Molecular FormulaC15H21N5OS
Molecular Weight319.43 g/mol
Exact Mass319.15
IUPAC NameN-cycloheptyl-4,5-dimethyl-2-(tetrazol-1-yl)thiophene-3-carboxamide
SMILESCc1sc(-n2cnnn2)c(C(=O)NC2CCCCCC2)c1C
InChIInChI=1S/C15H21N5OS/c1-10-11(2)22-15(20-9-16-18-19-20)13(10)14(21)17-12-7-5-3-4-6-8-12/h9,12H,3-8H2,1-2H3,(H,17,21)
InChIKeyMHIRYTKRHIGYCI-UHFFFAOYSA-N
XLogP2.79
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.43
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4,5-dimethyl-2-(tetrazol-1-yl)-N-(1H-1,2,4-triazol-5-yl)thiophene-3-carboxamide
CID 125433837
N-[2-(4-hydroxyphenyl)ethyl]-4,5-dimethyl-2-(tetrazol-1-yl)thiophene-3-carboxamide
CID 125433878
2-amino-N-cyclohexyl-4,5-dimethylthiophene-3-carboxamide
CID 17371220
formic acid;methyl 2-[(2R,5S)-5-[[[4,5-dimethyl-2-(tetrazol-1-yl)thiophene-3-carbonyl]amino]methyl]-1-methylpyrrolidin-2-yl]acetate
CID 171707065
N-[2-hydroxy-2-(6-oxo-1H-pyridin-2-yl)ethyl]-4,5-dimethyl-2-(tetrazol-1-yl)thiophene-3-carboxamide
CID 163310420
4,5-dimethyl-N-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]-2-(tetrazol-1-yl)thiophene-3-carboxamide
CID 125432731
methyl 2-[[4,5-dimethyl-2-(tetrazol-1-yl)thiophene-3-carbonyl]amino]-1,3-benzothiazole-6-carboxylate
CID 125434232
4,5-dimethyl-2-(tetrazol-1-yl)-N-[5-([1,2,4]triazolo[4,3-a]pyridin-3-yl)pentyl]thiophene-3-carboxamide
CID 125431094
N-cyclohexyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole-6-carboxamide
CID 110384580
N-cycloheptyl-2-[4-(tetrazol-1-yl)phenoxy]propanamide
CID 46633897
N-cyclohexyl-2-[4-(tetrazol-1-yl)phenoxy]acetamide
CID 2090380
N-cycloheptyl-3,5-dimethyl-1-phenylpyrazole-4-carboxamide
CID 9268507

Frequently Asked Questions

What is the IUPAC name of N-cycloheptyl-4,5-dimethyl-2-(tetrazol-1-yl)thiophene-3-carboxamide?
The IUPAC name of N-cycloheptyl-4,5-dimethyl-2-(tetrazol-1-yl)thiophene-3-carboxamide (CID 45492077) is N-cycloheptyl-4,5-dimethyl-2-(tetrazol-1-yl)thiophene-3-carboxamide.
What is the SMILES notation for N-cycloheptyl-4,5-dimethyl-2-(tetrazol-1-yl)thiophene-3-carboxamide?
The canonical SMILES for N-cycloheptyl-4,5-dimethyl-2-(tetrazol-1-yl)thiophene-3-carboxamide is Cc1sc(-n2cnnn2)c(C(=O)NC2CCCCCC2)c1C.
What is the InChIKey of N-cycloheptyl-4,5-dimethyl-2-(tetrazol-1-yl)thiophene-3-carboxamide?
The InChIKey is MHIRYTKRHIGYCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5OS/c1-10-11(2)22-15(20-9-16-18-19-20)13(10)14(21)17-12-7-5-3-4-6-8-12/h9,12H,3-8H2,1-2H3,(H,17,21).
What are the key properties of N-cycloheptyl-4,5-dimethyl-2-(tetrazol-1-yl)thiophene-3-carboxamide?
N-cycloheptyl-4,5-dimethyl-2-(tetrazol-1-yl)thiophene-3-carboxamide has a molecular weight of 319.43 g/mol, XLogP of 2.79, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cycloheptyl-4,5-dimethyl-2-(tetrazol-1-yl)thiophene-3-carboxamide is sourced from PubChem (CID 45492077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).