N-cyclopentyl-N-[5-(2-methylphenyl)-1,3,4-thiadiazol-2-yl]cyclopropanecarboxamide

C18H21N3OS — CID 1444702

IUPACN-cyclopentyl-N-[5-(2-methylphenyl)-1,3,4-thiadiazol-2-yl]cyclopropanecarboxamide
SMILESCc1ccccc1-c1nnc(N(C(=O)C2CC2)C2CCCC2)s1
InChIInChI=1S/C18H21N3OS/c1-12-6-2-5-9-15(12)16-19-20-18(23-16)21(14-7-3-4-8-14)17(22)13-10-11-13/h2,5-6,9,13-14H,3-4,7-8,10-11H2,1H3
InChIKeyPXYHTGPSWBPEMQ-UHFFFAOYSA-N
MW327.45 g/mol
LogP4.20
Rot. Bonds4

About N-cyclopentyl-N-[5-(2-methylphenyl)-1,3,4-thiadiazol-2-yl]cyclopropanecarboxamide

N-cyclopentyl-N-[5-(2-methylphenyl)-1,3,4-thiadiazol-2-yl]cyclopropanecarboxamide (PubChem CID 1444702) has the molecular formula C18H21N3OS and a molecular weight of 327.45 g/mol. Its IUPAC name is N-cyclopentyl-N-[5-(2-methylphenyl)-1,3,4-thiadiazol-2-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-cyclopentyl-N-[5-(2-methylphenyl)-1,3,4-thiadiazol-2-yl]cyclopropanecarboxamide
PubChem CID1444702
Molecular FormulaC18H21N3OS
Molecular Weight327.45 g/mol
Exact Mass327.14
IUPAC NameN-cyclopentyl-N-[5-(2-methylphenyl)-1,3,4-thiadiazol-2-yl]cyclopropanecarboxamide
SMILESCc1ccccc1-c1nnc(N(C(=O)C2CC2)C2CCCC2)s1
InChIInChI=1S/C18H21N3OS/c1-12-6-2-5-9-15(12)16-19-20-18(23-16)21(14-7-3-4-8-14)17(22)13-10-11-13/h2,5-6,9,13-14H,3-4,7-8,10-11H2,1H3
InChIKeyPXYHTGPSWBPEMQ-UHFFFAOYSA-N
XLogP4.20
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.45
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-Cyclopentyl-N-(5-p-tolyl-[1,3,4]thiadiazol-2-yl)-acetamide
CID 1444816
N-(2-Methoxy-ethyl)-N-(5-m-tolyl-[1,3,4]thiadiazol-2-yl)-isobutyramide
CID 652198
N-butyl-2-methyl-N-[5-(2-methylphenyl)-1,3,4-thiadiazol-2-yl]benzamide
CID 3230555
N-(2-methoxyethyl)-N-[5-(2-methylphenyl)-1,3,4-thiadiazol-2-yl]pentanamide
CID 3230576
N-butyl-N-[5-(3-fluorophenyl)-1,3,4-thiadiazol-2-yl]cyclohexanecarboxamide
CID 70685212
N-Cyclopentyl-N-(5-m-tolyl-[1,3,4]thiadiazol-2-yl)-acetamide
CID 1444777
Cyclopropanecarboxylic acid (2-methoxy-ethyl)-(5-m-tolyl-[1,3,4]thiadiazol-2-yl)-amide
CID 653963
2-methyl-N-[5-(2-methylphenyl)-1,3,4-thiadiazol-2-yl]-N-propylbenzamide
CID 1444730
N-(2-Methoxy-ethyl)-N-(5-p-tolyl-[1,3,4]thiadiazol-2-yl)-isobutyramide
CID 3212634
N-(2-methoxyethyl)-N-[5-(4-methylphenyl)-1,3,4-thiadiazol-2-yl]cyclopropanecarboxamide
CID 3212635
N-[5-(4-tert-butylphenyl)-1,3,4-thiadiazol-2-yl]-N-(2-methoxyethyl)-2-methylpropanamide
CID 3212659
N-(5-(o-tolyl)-1,3,4-thiadiazol-2-yl)cyclopropanecarboxamide
CID 1451463

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-N-[5-(2-methylphenyl)-1,3,4-thiadiazol-2-yl]cyclopropanecarboxamide?
The IUPAC name of N-cyclopentyl-N-[5-(2-methylphenyl)-1,3,4-thiadiazol-2-yl]cyclopropanecarboxamide (CID 1444702) is N-cyclopentyl-N-[5-(2-methylphenyl)-1,3,4-thiadiazol-2-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-cyclopentyl-N-[5-(2-methylphenyl)-1,3,4-thiadiazol-2-yl]cyclopropanecarboxamide?
The canonical SMILES for N-cyclopentyl-N-[5-(2-methylphenyl)-1,3,4-thiadiazol-2-yl]cyclopropanecarboxamide is Cc1ccccc1-c1nnc(N(C(=O)C2CC2)C2CCCC2)s1.
What is the InChIKey of N-cyclopentyl-N-[5-(2-methylphenyl)-1,3,4-thiadiazol-2-yl]cyclopropanecarboxamide?
The InChIKey is PXYHTGPSWBPEMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3OS/c1-12-6-2-5-9-15(12)16-19-20-18(23-16)21(14-7-3-4-8-14)17(22)13-10-11-13/h2,5-6,9,13-14H,3-4,7-8,10-11H2,1H3.
What are the key properties of N-cyclopentyl-N-[5-(2-methylphenyl)-1,3,4-thiadiazol-2-yl]cyclopropanecarboxamide?
N-cyclopentyl-N-[5-(2-methylphenyl)-1,3,4-thiadiazol-2-yl]cyclopropanecarboxamide has a molecular weight of 327.45 g/mol, XLogP of 4.20, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-N-[5-(2-methylphenyl)-1,3,4-thiadiazol-2-yl]cyclopropanecarboxamide is sourced from PubChem (CID 1444702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).