4-(cyclopropanecarbonylamino)-N-(4-methyl-1,3-thiazol-2-yl)benzamide

C15H15N3O2S — CID 17361667

IUPAC4-(cyclopropanecarbonylamino)-N-(4-methyl-1,3-thiazol-2-yl)benzamide
SMILESCc1csc(NC(=O)c2ccc(NC(=O)C3CC3)cc2)n1
InChIInChI=1S/C15H15N3O2S/c1-9-8-21-15(16-9)18-14(20)11-4-6-12(7-5-11)17-13(19)10-2-3-10/h4-8,10H,2-3H2,1H3,(H,17,19)(H,16,18,20)
InChIKeyKYXLWEWKMXSDPQ-UHFFFAOYSA-N
MW301.37 g/mol
LogP3.05
Rot. Bonds4

About 4-(cyclopropanecarbonylamino)-N-(4-methyl-1,3-thiazol-2-yl)benzamide

4-(cyclopropanecarbonylamino)-N-(4-methyl-1,3-thiazol-2-yl)benzamide (PubChem CID 17361667) has the molecular formula C15H15N3O2S and a molecular weight of 301.37 g/mol. Its IUPAC name is 4-(cyclopropanecarbonylamino)-N-(4-methyl-1,3-thiazol-2-yl)benzamide.

Molecular Properties

Compound Name4-(cyclopropanecarbonylamino)-N-(4-methyl-1,3-thiazol-2-yl)benzamide
PubChem CID17361667
Molecular FormulaC15H15N3O2S
Molecular Weight301.37 g/mol
Exact Mass301.09
IUPAC Name4-(cyclopropanecarbonylamino)-N-(4-methyl-1,3-thiazol-2-yl)benzamide
SMILESCc1csc(NC(=O)c2ccc(NC(=O)C3CC3)cc2)n1
InChIInChI=1S/C15H15N3O2S/c1-9-8-21-15(16-9)18-14(20)11-4-6-12(7-5-11)17-13(19)10-2-3-10/h4-8,10H,2-3H2,1H3,(H,17,19)(H,16,18,20)
InChIKeyKYXLWEWKMXSDPQ-UHFFFAOYSA-N
XLogP3.05
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.37
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(cyclopropanecarbonylamino)-N-(4-methyl-1,3-thiazol-2-yl)benzamide?
The IUPAC name of 4-(cyclopropanecarbonylamino)-N-(4-methyl-1,3-thiazol-2-yl)benzamide (CID 17361667) is 4-(cyclopropanecarbonylamino)-N-(4-methyl-1,3-thiazol-2-yl)benzamide.
What is the SMILES notation for 4-(cyclopropanecarbonylamino)-N-(4-methyl-1,3-thiazol-2-yl)benzamide?
The canonical SMILES for 4-(cyclopropanecarbonylamino)-N-(4-methyl-1,3-thiazol-2-yl)benzamide is Cc1csc(NC(=O)c2ccc(NC(=O)C3CC3)cc2)n1.
What is the InChIKey of 4-(cyclopropanecarbonylamino)-N-(4-methyl-1,3-thiazol-2-yl)benzamide?
The InChIKey is KYXLWEWKMXSDPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O2S/c1-9-8-21-15(16-9)18-14(20)11-4-6-12(7-5-11)17-13(19)10-2-3-10/h4-8,10H,2-3H2,1H3,(H,17,19)(H,16,18,20).
What are the key properties of 4-(cyclopropanecarbonylamino)-N-(4-methyl-1,3-thiazol-2-yl)benzamide?
4-(cyclopropanecarbonylamino)-N-(4-methyl-1,3-thiazol-2-yl)benzamide has a molecular weight of 301.37 g/mol, XLogP of 3.05, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclopropanecarbonylamino)-N-(4-methyl-1,3-thiazol-2-yl)benzamide is sourced from PubChem (CID 17361667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).