N-(3-chloro-4-fluorophenyl)-N-[2-(cyclopentylamino)-2-oxoethyl]thiadiazole-4-carboxamide

C16H16ClFN4O2S — CID 3222054

IUPACN-(3-chloro-4-fluorophenyl)-N-[2-(cyclopentylamino)-2-oxoethyl]thiadiazole-4-carboxamide
SMILESO=C(CN(C(=O)c1csnn1)c1ccc(F)c(Cl)c1)NC1CCCC1
InChIInChI=1S/C16H16ClFN4O2S/c17-12-7-11(5-6-13(12)18)22(16(24)14-9-25-21-20-14)8-15(23)19-10-3-1-2-4-10/h5-7,9-10H,1-4,8H2,(H,19,23)
InChIKeyFQSSIBRPIQXARA-UHFFFAOYSA-N
MW382.85 g/mol
LogP3.04
Rot. Bonds5

About N-(3-chloro-4-fluorophenyl)-N-[2-(cyclopentylamino)-2-oxoethyl]thiadiazole-4-carboxamide

N-(3-chloro-4-fluorophenyl)-N-[2-(cyclopentylamino)-2-oxoethyl]thiadiazole-4-carboxamide (PubChem CID 3222054) has the molecular formula C16H16ClFN4O2S and a molecular weight of 382.85 g/mol. Its IUPAC name is N-(3-chloro-4-fluorophenyl)-N-[2-(cyclopentylamino)-2-oxoethyl]thiadiazole-4-carboxamide.

Molecular Properties

Compound NameN-(3-chloro-4-fluorophenyl)-N-[2-(cyclopentylamino)-2-oxoethyl]thiadiazole-4-carboxamide
PubChem CID3222054
Molecular FormulaC16H16ClFN4O2S
Molecular Weight382.85 g/mol
Exact Mass382.07
IUPAC NameN-(3-chloro-4-fluorophenyl)-N-[2-(cyclopentylamino)-2-oxoethyl]thiadiazole-4-carboxamide
SMILESO=C(CN(C(=O)c1csnn1)c1ccc(F)c(Cl)c1)NC1CCCC1
InChIInChI=1S/C16H16ClFN4O2S/c17-12-7-11(5-6-13(12)18)22(16(24)14-9-25-21-20-14)8-15(23)19-10-3-1-2-4-10/h5-7,9-10H,1-4,8H2,(H,19,23)
InChIKeyFQSSIBRPIQXARA-UHFFFAOYSA-N
XLogP3.04
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.85
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-fluorophenyl)-N-[2-(cyclopentylamino)-2-oxoethyl]thiadiazole-4-carboxamide?
The IUPAC name of N-(3-chloro-4-fluorophenyl)-N-[2-(cyclopentylamino)-2-oxoethyl]thiadiazole-4-carboxamide (CID 3222054) is N-(3-chloro-4-fluorophenyl)-N-[2-(cyclopentylamino)-2-oxoethyl]thiadiazole-4-carboxamide.
What is the SMILES notation for N-(3-chloro-4-fluorophenyl)-N-[2-(cyclopentylamino)-2-oxoethyl]thiadiazole-4-carboxamide?
The canonical SMILES for N-(3-chloro-4-fluorophenyl)-N-[2-(cyclopentylamino)-2-oxoethyl]thiadiazole-4-carboxamide is O=C(CN(C(=O)c1csnn1)c1ccc(F)c(Cl)c1)NC1CCCC1.
What is the InChIKey of N-(3-chloro-4-fluorophenyl)-N-[2-(cyclopentylamino)-2-oxoethyl]thiadiazole-4-carboxamide?
The InChIKey is FQSSIBRPIQXARA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClFN4O2S/c17-12-7-11(5-6-13(12)18)22(16(24)14-9-25-21-20-14)8-15(23)19-10-3-1-2-4-10/h5-7,9-10H,1-4,8H2,(H,19,23).
What are the key properties of N-(3-chloro-4-fluorophenyl)-N-[2-(cyclopentylamino)-2-oxoethyl]thiadiazole-4-carboxamide?
N-(3-chloro-4-fluorophenyl)-N-[2-(cyclopentylamino)-2-oxoethyl]thiadiazole-4-carboxamide has a molecular weight of 382.85 g/mol, XLogP of 3.04, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-fluorophenyl)-N-[2-(cyclopentylamino)-2-oxoethyl]thiadiazole-4-carboxamide is sourced from PubChem (CID 3222054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).