1-phenyl-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)cyclopropane-1-carboxamide

C18H15N3OS — CID 11674172

IUPAC1-phenyl-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)cyclopropane-1-carboxamide
SMILESO=C(Nc1nc(-c2ccncc2)cs1)C1(c2ccccc2)CC1
InChIInChI=1S/C18H15N3OS/c22-16(18(8-9-18)14-4-2-1-3-5-14)21-17-20-15(12-23-17)13-6-10-19-11-7-13/h1-7,10-12H,8-9H2,(H,20,21,22)
InChIKeyMFLSWUJMLWKBEZ-UHFFFAOYSA-N
MW321.41 g/mol
LogP3.88
Rot. Bonds4

About 1-phenyl-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)cyclopropane-1-carboxamide

1-phenyl-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)cyclopropane-1-carboxamide (PubChem CID 11674172) has the molecular formula C18H15N3OS and a molecular weight of 321.41 g/mol. Its IUPAC name is 1-phenyl-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-phenyl-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)cyclopropane-1-carboxamide
PubChem CID11674172
Molecular FormulaC18H15N3OS
Molecular Weight321.41 g/mol
Exact Mass321.09
IUPAC Name1-phenyl-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)cyclopropane-1-carboxamide
SMILESO=C(Nc1nc(-c2ccncc2)cs1)C1(c2ccccc2)CC1
InChIInChI=1S/C18H15N3OS/c22-16(18(8-9-18)14-4-2-1-3-5-14)21-17-20-15(12-23-17)13-6-10-19-11-7-13/h1-7,10-12H,8-9H2,(H,20,21,22)
InChIKeyMFLSWUJMLWKBEZ-UHFFFAOYSA-N
XLogP3.88
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.41
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-phenyl-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)cyclopropane-1-carboxamide?
The IUPAC name of 1-phenyl-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)cyclopropane-1-carboxamide (CID 11674172) is 1-phenyl-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)cyclopropane-1-carboxamide.
What is the SMILES notation for 1-phenyl-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)cyclopropane-1-carboxamide?
The canonical SMILES for 1-phenyl-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)cyclopropane-1-carboxamide is O=C(Nc1nc(-c2ccncc2)cs1)C1(c2ccccc2)CC1.
What is the InChIKey of 1-phenyl-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)cyclopropane-1-carboxamide?
The InChIKey is MFLSWUJMLWKBEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N3OS/c22-16(18(8-9-18)14-4-2-1-3-5-14)21-17-20-15(12-23-17)13-6-10-19-11-7-13/h1-7,10-12H,8-9H2,(H,20,21,22).
What are the key properties of 1-phenyl-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)cyclopropane-1-carboxamide?
1-phenyl-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)cyclopropane-1-carboxamide has a molecular weight of 321.41 g/mol, XLogP of 3.88, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)cyclopropane-1-carboxamide is sourced from PubChem (CID 11674172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).