1-(3-chlorophenyl)-N-(4-cyclopropyl-1,3-thiazol-2-yl)cyclopropane-1-carboxamide

C16H15ClN2OS — CID 32869654

IUPAC1-(3-chlorophenyl)-N-(4-cyclopropyl-1,3-thiazol-2-yl)cyclopropane-1-carboxamide
SMILESO=C(Nc1nc(C2CC2)cs1)C1(c2cccc(Cl)c2)CC1
InChIInChI=1S/C16H15ClN2OS/c17-12-3-1-2-11(8-12)16(6-7-16)14(20)19-15-18-13(9-21-15)10-4-5-10/h1-3,8-10H,4-7H2,(H,18,19,20)
InChIKeyHZZCFVIHVWOXAZ-UHFFFAOYSA-N
MW318.83 g/mol
LogP4.34
Rot. Bonds4

About 1-(3-chlorophenyl)-N-(4-cyclopropyl-1,3-thiazol-2-yl)cyclopropane-1-carboxamide

1-(3-chlorophenyl)-N-(4-cyclopropyl-1,3-thiazol-2-yl)cyclopropane-1-carboxamide (PubChem CID 32869654) has the molecular formula C16H15ClN2OS and a molecular weight of 318.83 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-N-(4-cyclopropyl-1,3-thiazol-2-yl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-(3-chlorophenyl)-N-(4-cyclopropyl-1,3-thiazol-2-yl)cyclopropane-1-carboxamide
PubChem CID32869654
Molecular FormulaC16H15ClN2OS
Molecular Weight318.83 g/mol
Exact Mass318.06
IUPAC Name1-(3-chlorophenyl)-N-(4-cyclopropyl-1,3-thiazol-2-yl)cyclopropane-1-carboxamide
SMILESO=C(Nc1nc(C2CC2)cs1)C1(c2cccc(Cl)c2)CC1
InChIInChI=1S/C16H15ClN2OS/c17-12-3-1-2-11(8-12)16(6-7-16)14(20)19-15-18-13(9-21-15)10-4-5-10/h1-3,8-10H,4-7H2,(H,18,19,20)
InChIKeyHZZCFVIHVWOXAZ-UHFFFAOYSA-N
XLogP4.34
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.83
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-N-(4-cyclopropyl-1,3-thiazol-2-yl)cyclopropane-1-carboxamide?
The IUPAC name of 1-(3-chlorophenyl)-N-(4-cyclopropyl-1,3-thiazol-2-yl)cyclopropane-1-carboxamide (CID 32869654) is 1-(3-chlorophenyl)-N-(4-cyclopropyl-1,3-thiazol-2-yl)cyclopropane-1-carboxamide.
What is the SMILES notation for 1-(3-chlorophenyl)-N-(4-cyclopropyl-1,3-thiazol-2-yl)cyclopropane-1-carboxamide?
The canonical SMILES for 1-(3-chlorophenyl)-N-(4-cyclopropyl-1,3-thiazol-2-yl)cyclopropane-1-carboxamide is O=C(Nc1nc(C2CC2)cs1)C1(c2cccc(Cl)c2)CC1.
What is the InChIKey of 1-(3-chlorophenyl)-N-(4-cyclopropyl-1,3-thiazol-2-yl)cyclopropane-1-carboxamide?
The InChIKey is HZZCFVIHVWOXAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClN2OS/c17-12-3-1-2-11(8-12)16(6-7-16)14(20)19-15-18-13(9-21-15)10-4-5-10/h1-3,8-10H,4-7H2,(H,18,19,20).
What are the key properties of 1-(3-chlorophenyl)-N-(4-cyclopropyl-1,3-thiazol-2-yl)cyclopropane-1-carboxamide?
1-(3-chlorophenyl)-N-(4-cyclopropyl-1,3-thiazol-2-yl)cyclopropane-1-carboxamide has a molecular weight of 318.83 g/mol, XLogP of 4.34, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-N-(4-cyclopropyl-1,3-thiazol-2-yl)cyclopropane-1-carboxamide is sourced from PubChem (CID 32869654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).