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

C15H17N3O2S — CID 18128642

IUPACN-[3-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-3-oxopropyl]benzamide
SMILESCc1nc(NC(=O)CCNC(=O)c2ccccc2)sc1C
InChIInChI=1S/C15H17N3O2S/c1-10-11(2)21-15(17-10)18-13(19)8-9-16-14(20)12-6-4-3-5-7-12/h3-7H,8-9H2,1-2H3,(H,16,20)(H,17,18,19)
InChIKeyZCCYGQPDVHFBHK-UHFFFAOYSA-N
MW303.39 g/mol
LogP2.52
Rot. Bonds5

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

N-[3-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-3-oxopropyl]benzamide (PubChem CID 18128642) has the molecular formula C15H17N3O2S and a molecular weight of 303.39 g/mol. Its IUPAC name is N-[3-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-3-oxopropyl]benzamide.

Molecular Properties

Compound NameN-[3-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-3-oxopropyl]benzamide
PubChem CID18128642
Molecular FormulaC15H17N3O2S
Molecular Weight303.39 g/mol
Exact Mass303.10
IUPAC NameN-[3-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-3-oxopropyl]benzamide
SMILESCc1nc(NC(=O)CCNC(=O)c2ccccc2)sc1C
InChIInChI=1S/C15H17N3O2S/c1-10-11(2)21-15(17-10)18-13(19)8-9-16-14(20)12-6-4-3-5-7-12/h3-7H,8-9H2,1-2H3,(H,16,20)(H,17,18,19)
InChIKeyZCCYGQPDVHFBHK-UHFFFAOYSA-N
XLogP2.52
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.39
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-bromo-N-[3-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-3-oxopropyl]benzamide
CID 51151058
N-(4,5-dimethyl-1,3-thiazol-2-yl)-3-phenylpropanamide
CID 733834
N-[3-[(5-acetyl-4-phenyl-1,3-thiazol-2-yl)amino]-3-oxopropyl]benzamide
CID 26196521
ethyl 2-(3-benzamidopropanoylamino)-4-phenyl-1,3-thiazole-5-carboxylate
CID 16566727
4-bromo-N-[3-[[4-(4-bromophenyl)-5-methyl-1,3-thiazol-2-yl]amino]-3-oxopropyl]benzamide
CID 2468731
N-[3-oxo-3-[(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)amino]propyl]benzamide
CID 17154580
N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]benzamide
CID 58883688
N-[4-[(5-methyl-1,3-thiazol-2-yl)amino]-4-oxobutyl]benzamide
CID 39768880
ethyl 2-[3-[(4-tert-butylbenzoyl)amino]propanoylamino]-4-methyl-1,3-thiazole-5-carboxylate
CID 55343953
N-(4,5-dimethyl-1,3-thiazol-2-yl)-3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanamide
CID 18198249
N-[3-[(5-methyl-2-pyridinyl)amino]-3-oxopropyl]benzamide
CID 35022049
ethyl 2-[3-[(3-methoxybenzoyl)amino]propanoylamino]-4-methyl-1,3-thiazole-5-carboxylate
CID 17226273

Frequently Asked Questions

What is the IUPAC name of N-[3-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-3-oxopropyl]benzamide?
The IUPAC name of N-[3-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-3-oxopropyl]benzamide (CID 18128642) is N-[3-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-3-oxopropyl]benzamide.
What is the SMILES notation for N-[3-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-3-oxopropyl]benzamide?
The canonical SMILES for N-[3-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-3-oxopropyl]benzamide is Cc1nc(NC(=O)CCNC(=O)c2ccccc2)sc1C.
What is the InChIKey of N-[3-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-3-oxopropyl]benzamide?
The InChIKey is ZCCYGQPDVHFBHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O2S/c1-10-11(2)21-15(17-10)18-13(19)8-9-16-14(20)12-6-4-3-5-7-12/h3-7H,8-9H2,1-2H3,(H,16,20)(H,17,18,19).
What are the key properties of N-[3-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-3-oxopropyl]benzamide?
N-[3-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-3-oxopropyl]benzamide has a molecular weight of 303.39 g/mol, XLogP of 2.52, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-3-oxopropyl]benzamide is sourced from PubChem (CID 18128642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).