5-chloro-N-(cyclopentylmethyl)-N-methyl-1,3,4-thiadiazole-2-carboxamide

C10H14ClN3OS — CID 80618027

IUPAC5-chloro-N-(cyclopentylmethyl)-N-methyl-1,3,4-thiadiazole-2-carboxamide
SMILESCN(CC1CCCC1)C(=O)c1nnc(Cl)s1
InChIInChI=1S/C10H14ClN3OS/c1-14(6-7-4-2-3-5-7)9(15)8-12-13-10(11)16-8/h7H,2-6H2,1H3
InChIKeyNXUIOXHBPMHNCZ-UHFFFAOYSA-N
MW259.76 g/mol
LogP2.45
Rot. Bonds3

About 5-chloro-N-(cyclopentylmethyl)-N-methyl-1,3,4-thiadiazole-2-carboxamide

5-chloro-N-(cyclopentylmethyl)-N-methyl-1,3,4-thiadiazole-2-carboxamide (PubChem CID 80618027) has the molecular formula C10H14ClN3OS and a molecular weight of 259.76 g/mol. Its IUPAC name is 5-chloro-N-(cyclopentylmethyl)-N-methyl-1,3,4-thiadiazole-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-(cyclopentylmethyl)-N-methyl-1,3,4-thiadiazole-2-carboxamide
PubChem CID80618027
Molecular FormulaC10H14ClN3OS
Molecular Weight259.76 g/mol
Exact Mass259.05
IUPAC Name5-chloro-N-(cyclopentylmethyl)-N-methyl-1,3,4-thiadiazole-2-carboxamide
SMILESCN(CC1CCCC1)C(=O)c1nnc(Cl)s1
InChIInChI=1S/C10H14ClN3OS/c1-14(6-7-4-2-3-5-7)9(15)8-12-13-10(11)16-8/h7H,2-6H2,1H3
InChIKeyNXUIOXHBPMHNCZ-UHFFFAOYSA-N
XLogP2.45
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.76
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

CID 178467800
CID 178467800
CID 80617684
CID 80617684
CID 80617693
CID 80617693
CID 80617843
CID 80617843
CID 80617845
CID 80617845
CID 80617846
CID 80617846
CID 80617850
CID 80617850
CID 80617857
CID 80617857
CID 80618005
CID 80618005
CID 80618020
CID 80618020
CID 80618026
CID 80618026
CID 80618030
CID 80618030

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(cyclopentylmethyl)-N-methyl-1,3,4-thiadiazole-2-carboxamide?
The IUPAC name of 5-chloro-N-(cyclopentylmethyl)-N-methyl-1,3,4-thiadiazole-2-carboxamide (CID 80618027) is 5-chloro-N-(cyclopentylmethyl)-N-methyl-1,3,4-thiadiazole-2-carboxamide.
What is the SMILES notation for 5-chloro-N-(cyclopentylmethyl)-N-methyl-1,3,4-thiadiazole-2-carboxamide?
The canonical SMILES for 5-chloro-N-(cyclopentylmethyl)-N-methyl-1,3,4-thiadiazole-2-carboxamide is CN(CC1CCCC1)C(=O)c1nnc(Cl)s1.
What is the InChIKey of 5-chloro-N-(cyclopentylmethyl)-N-methyl-1,3,4-thiadiazole-2-carboxamide?
The InChIKey is NXUIOXHBPMHNCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClN3OS/c1-14(6-7-4-2-3-5-7)9(15)8-12-13-10(11)16-8/h7H,2-6H2,1H3.
What are the key properties of 5-chloro-N-(cyclopentylmethyl)-N-methyl-1,3,4-thiadiazole-2-carboxamide?
5-chloro-N-(cyclopentylmethyl)-N-methyl-1,3,4-thiadiazole-2-carboxamide has a molecular weight of 259.76 g/mol, XLogP of 2.45, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(cyclopentylmethyl)-N-methyl-1,3,4-thiadiazole-2-carboxamide is sourced from PubChem (CID 80618027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).