N-[4-amino-5-(cyclopropanecarbonyl)-1,3-thiazol-2-yl]benzamide

C14H13N3O2S — CID 59974584

IUPACN-[4-amino-5-(cyclopropanecarbonyl)-1,3-thiazol-2-yl]benzamide
SMILESNc1nc(NC(=O)c2ccccc2)sc1C(=O)C1CC1
InChIInChI=1S/C14H13N3O2S/c15-12-11(10(18)8-6-7-8)20-14(16-12)17-13(19)9-4-2-1-3-5-9/h1-5,8H,6-7,15H2,(H,16,17,19)
InChIKeyBUSMORFGSSFHNC-UHFFFAOYSA-N
MW287.34 g/mol
LogP2.57
Rot. Bonds4

About N-[4-amino-5-(cyclopropanecarbonyl)-1,3-thiazol-2-yl]benzamide

N-[4-amino-5-(cyclopropanecarbonyl)-1,3-thiazol-2-yl]benzamide (PubChem CID 59974584) has the molecular formula C14H13N3O2S and a molecular weight of 287.34 g/mol. Its IUPAC name is N-[4-amino-5-(cyclopropanecarbonyl)-1,3-thiazol-2-yl]benzamide.

Molecular Properties

Compound NameN-[4-amino-5-(cyclopropanecarbonyl)-1,3-thiazol-2-yl]benzamide
PubChem CID59974584
Molecular FormulaC14H13N3O2S
Molecular Weight287.34 g/mol
Exact Mass287.07
IUPAC NameN-[4-amino-5-(cyclopropanecarbonyl)-1,3-thiazol-2-yl]benzamide
SMILESNc1nc(NC(=O)c2ccccc2)sc1C(=O)C1CC1
InChIInChI=1S/C14H13N3O2S/c15-12-11(10(18)8-6-7-8)20-14(16-12)17-13(19)9-4-2-1-3-5-9/h1-5,8H,6-7,15H2,(H,16,17,19)
InChIKeyBUSMORFGSSFHNC-UHFFFAOYSA-N
XLogP2.57
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.34
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(5-benzoyl-4-methyl-1,3-thiazol-2-yl)benzamide
CID 7315330
N-(5-benzoyl-4-phenyl-1,3-thiazol-2-yl)benzamide
CID 981611
2-benzamido-N-hydroxy-4-phenyl-1,3-thiazole-5-carboxamide
CID 58121091
(4R)-2-benzamido-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxylic acid
CID 42281824
N-[5-(cyclopropanecarbonylamino)-2H-pyrazolo[3,4-d][1,3]thiazol-3-yl]benzamide
CID 58925692
N-[5-[amino(benzoyl)carbamoyl]-4-methyl-1,3-thiazol-2-yl]benzamide
CID 87544011
N-(3-amino-2H-pyrazolo[3,4-d][1,3]thiazol-5-yl)benzamide
CID 58925819
N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)benzamide
CID 5132842
N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)benzamide
CID 5140427
(4-benzoylcyclohexyl)-phenylmethanone
CID 24722598
N-(2-benzamido-4-phenyl-1,3-thiazol-5-yl)benzamide
CID 46300054
[4-amino-2-(2-phenylethylamino)-1,3-thiazol-5-yl]-phenylmethanone
CID 71733211

Frequently Asked Questions

What is the IUPAC name of N-[4-amino-5-(cyclopropanecarbonyl)-1,3-thiazol-2-yl]benzamide?
The IUPAC name of N-[4-amino-5-(cyclopropanecarbonyl)-1,3-thiazol-2-yl]benzamide (CID 59974584) is N-[4-amino-5-(cyclopropanecarbonyl)-1,3-thiazol-2-yl]benzamide.
What is the SMILES notation for N-[4-amino-5-(cyclopropanecarbonyl)-1,3-thiazol-2-yl]benzamide?
The canonical SMILES for N-[4-amino-5-(cyclopropanecarbonyl)-1,3-thiazol-2-yl]benzamide is Nc1nc(NC(=O)c2ccccc2)sc1C(=O)C1CC1.
What is the InChIKey of N-[4-amino-5-(cyclopropanecarbonyl)-1,3-thiazol-2-yl]benzamide?
The InChIKey is BUSMORFGSSFHNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O2S/c15-12-11(10(18)8-6-7-8)20-14(16-12)17-13(19)9-4-2-1-3-5-9/h1-5,8H,6-7,15H2,(H,16,17,19).
What are the key properties of N-[4-amino-5-(cyclopropanecarbonyl)-1,3-thiazol-2-yl]benzamide?
N-[4-amino-5-(cyclopropanecarbonyl)-1,3-thiazol-2-yl]benzamide has a molecular weight of 287.34 g/mol, XLogP of 2.57, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-amino-5-(cyclopropanecarbonyl)-1,3-thiazol-2-yl]benzamide is sourced from PubChem (CID 59974584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).