3-amino-N-[2-methyl-4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]phenyl]cyclopentane-1-carboxamide

C16H20N4OS2 — CID 119766280

IUPAC3-amino-N-[2-methyl-4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]phenyl]cyclopentane-1-carboxamide
SMILESCc1nnc(Sc2ccc(NC(=O)C3CCC(N)C3)c(C)c2)s1
InChIInChI=1S/C16H20N4OS2/c1-9-7-13(23-16-20-19-10(2)22-16)5-6-14(9)18-15(21)11-3-4-12(17)8-11/h5-7,11-12H,3-4,8,17H2,1-2H3,(H,18,21)
InChIKeyLFHDEBKFQOCLFL-UHFFFAOYSA-N
MW348.50 g/mol
LogP3.37
Rot. Bonds4

About 3-amino-N-[2-methyl-4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]phenyl]cyclopentane-1-carboxamide

3-amino-N-[2-methyl-4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]phenyl]cyclopentane-1-carboxamide (PubChem CID 119766280) has the molecular formula C16H20N4OS2 and a molecular weight of 348.50 g/mol. Its IUPAC name is 3-amino-N-[2-methyl-4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]phenyl]cyclopentane-1-carboxamide.

Molecular Properties

Compound Name3-amino-N-[2-methyl-4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]phenyl]cyclopentane-1-carboxamide
PubChem CID119766280
Molecular FormulaC16H20N4OS2
Molecular Weight348.50 g/mol
Exact Mass348.11
IUPAC Name3-amino-N-[2-methyl-4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]phenyl]cyclopentane-1-carboxamide
SMILESCc1nnc(Sc2ccc(NC(=O)C3CCC(N)C3)c(C)c2)s1
InChIInChI=1S/C16H20N4OS2/c1-9-7-13(23-16-20-19-10(2)22-16)5-6-14(9)18-15(21)11-3-4-12(17)8-11/h5-7,11-12H,3-4,8,17H2,1-2H3,(H,18,21)
InChIKeyLFHDEBKFQOCLFL-UHFFFAOYSA-N
XLogP3.37
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.50
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 3-amino-N-[2-methyl-4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]phenyl]cyclopentane-1-carboxamide with MolForge

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Related Compounds

2-methyl-3-(methylamino)-N-[2-methyl-4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]phenyl]propanamide;hydrochloride
CID 119766293
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3-amino-N-(2,5-dimethylphenyl)cyclopentane-1-carboxamide
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CID 119739406
3-amino-N-[4-(1,3,4-thiadiazol-2-ylsulfanyl)phenyl]cyclopentane-1-carboxamide
CID 119757430
3-amino-N-(4-bromo-2-methylphenyl)cyclohexane-1-carboxamide
CID 63042143
N-(2-methyl-4-pyrimidin-2-ylsulfanylphenyl)pyrrolidine-3-carboxamide
CID 119766390
3-amino-N-(4,5-dimethoxy-2-methylphenyl)cyclopentane-1-carboxamide
CID 66009354
3-amino-N-(5-chloro-2-methylphenyl)cyclopentane-1-carboxamide
CID 66032471
3-amino-N-(2-methyl-1,3-benzothiazol-6-yl)cyclopentane-1-carboxamide
CID 66009345
N-[2-methyl-4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]phenyl]-2-[2-(trifluoromethyl)phenoxy]acetamide
CID 86878166

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[2-methyl-4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]phenyl]cyclopentane-1-carboxamide?
The IUPAC name of 3-amino-N-[2-methyl-4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]phenyl]cyclopentane-1-carboxamide (CID 119766280) is 3-amino-N-[2-methyl-4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]phenyl]cyclopentane-1-carboxamide.
What is the SMILES notation for 3-amino-N-[2-methyl-4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]phenyl]cyclopentane-1-carboxamide?
The canonical SMILES for 3-amino-N-[2-methyl-4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]phenyl]cyclopentane-1-carboxamide is Cc1nnc(Sc2ccc(NC(=O)C3CCC(N)C3)c(C)c2)s1.
What is the InChIKey of 3-amino-N-[2-methyl-4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]phenyl]cyclopentane-1-carboxamide?
The InChIKey is LFHDEBKFQOCLFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4OS2/c1-9-7-13(23-16-20-19-10(2)22-16)5-6-14(9)18-15(21)11-3-4-12(17)8-11/h5-7,11-12H,3-4,8,17H2,1-2H3,(H,18,21).
What are the key properties of 3-amino-N-[2-methyl-4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]phenyl]cyclopentane-1-carboxamide?
3-amino-N-[2-methyl-4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]phenyl]cyclopentane-1-carboxamide has a molecular weight of 348.50 g/mol, XLogP of 3.37, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[2-methyl-4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]phenyl]cyclopentane-1-carboxamide is sourced from PubChem (CID 119766280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).