3-(cyclopropanecarbonylamino)-N-(1,3-thiazol-2-yl)benzamide

C14H13N3O2S — CID 893369

IUPAC3-(cyclopropanecarbonylamino)-N-(1,3-thiazol-2-yl)benzamide
SMILESO=C(Nc1nccs1)c1cccc(NC(=O)C2CC2)c1
InChIInChI=1S/C14H13N3O2S/c18-12(9-4-5-9)16-11-3-1-2-10(8-11)13(19)17-14-15-6-7-20-14/h1-3,6-9H,4-5H2,(H,16,18)(H,15,17,19)
InChIKeyKXYABAYDIMLCAF-UHFFFAOYSA-N
MW287.34 g/mol
LogP2.74
Rot. Bonds4

About 3-(cyclopropanecarbonylamino)-N-(1,3-thiazol-2-yl)benzamide

3-(cyclopropanecarbonylamino)-N-(1,3-thiazol-2-yl)benzamide (PubChem CID 893369) has the molecular formula C14H13N3O2S and a molecular weight of 287.34 g/mol. Its IUPAC name is 3-(cyclopropanecarbonylamino)-N-(1,3-thiazol-2-yl)benzamide.

Molecular Properties

Compound Name3-(cyclopropanecarbonylamino)-N-(1,3-thiazol-2-yl)benzamide
PubChem CID893369
Molecular FormulaC14H13N3O2S
Molecular Weight287.34 g/mol
Exact Mass287.07
IUPAC Name3-(cyclopropanecarbonylamino)-N-(1,3-thiazol-2-yl)benzamide
SMILESO=C(Nc1nccs1)c1cccc(NC(=O)C2CC2)c1
InChIInChI=1S/C14H13N3O2S/c18-12(9-4-5-9)16-11-3-1-2-10(8-11)13(19)17-14-15-6-7-20-14/h1-3,6-9H,4-5H2,(H,16,18)(H,15,17,19)
InChIKeyKXYABAYDIMLCAF-UHFFFAOYSA-N
XLogP2.74
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.34
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(cyclopropanecarbonylamino)-N-(1,3-thiazol-2-yl)benzamide?
The IUPAC name of 3-(cyclopropanecarbonylamino)-N-(1,3-thiazol-2-yl)benzamide (CID 893369) is 3-(cyclopropanecarbonylamino)-N-(1,3-thiazol-2-yl)benzamide.
What is the SMILES notation for 3-(cyclopropanecarbonylamino)-N-(1,3-thiazol-2-yl)benzamide?
The canonical SMILES for 3-(cyclopropanecarbonylamino)-N-(1,3-thiazol-2-yl)benzamide is O=C(Nc1nccs1)c1cccc(NC(=O)C2CC2)c1.
What is the InChIKey of 3-(cyclopropanecarbonylamino)-N-(1,3-thiazol-2-yl)benzamide?
The InChIKey is KXYABAYDIMLCAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O2S/c18-12(9-4-5-9)16-11-3-1-2-10(8-11)13(19)17-14-15-6-7-20-14/h1-3,6-9H,4-5H2,(H,16,18)(H,15,17,19).
What are the key properties of 3-(cyclopropanecarbonylamino)-N-(1,3-thiazol-2-yl)benzamide?
3-(cyclopropanecarbonylamino)-N-(1,3-thiazol-2-yl)benzamide has a molecular weight of 287.34 g/mol, XLogP of 2.74, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclopropanecarbonylamino)-N-(1,3-thiazol-2-yl)benzamide is sourced from PubChem (CID 893369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).