N-(4-methyl-1,3-thiazol-2-yl)-3-[(2-phenylacetyl)amino]propanamide

C15H17N3O2S — CID 18134838

IUPACN-(4-methyl-1,3-thiazol-2-yl)-3-[(2-phenylacetyl)amino]propanamide
SMILESCc1csc(NC(=O)CCNC(=O)Cc2ccccc2)n1
InChIInChI=1S/C15H17N3O2S/c1-11-10-21-15(17-11)18-13(19)7-8-16-14(20)9-12-5-3-2-4-6-12/h2-6,10H,7-9H2,1H3,(H,16,20)(H,17,18,19)
InChIKeyYSDWHAVAGSONFO-UHFFFAOYSA-N
MW303.39 g/mol
LogP2.14
Rot. Bonds6

About N-(4-methyl-1,3-thiazol-2-yl)-3-[(2-phenylacetyl)amino]propanamide

N-(4-methyl-1,3-thiazol-2-yl)-3-[(2-phenylacetyl)amino]propanamide (PubChem CID 18134838) has the molecular formula C15H17N3O2S and a molecular weight of 303.39 g/mol. Its IUPAC name is N-(4-methyl-1,3-thiazol-2-yl)-3-[(2-phenylacetyl)amino]propanamide.

Molecular Properties

Compound NameN-(4-methyl-1,3-thiazol-2-yl)-3-[(2-phenylacetyl)amino]propanamide
PubChem CID18134838
Molecular FormulaC15H17N3O2S
Molecular Weight303.39 g/mol
Exact Mass303.10
IUPAC NameN-(4-methyl-1,3-thiazol-2-yl)-3-[(2-phenylacetyl)amino]propanamide
SMILESCc1csc(NC(=O)CCNC(=O)Cc2ccccc2)n1
InChIInChI=1S/C15H17N3O2S/c1-11-10-21-15(17-11)18-13(19)7-8-16-14(20)9-12-5-3-2-4-6-12/h2-6,10H,7-9H2,1H3,(H,16,20)(H,17,18,19)
InChIKeyYSDWHAVAGSONFO-UHFFFAOYSA-N
XLogP2.14
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.39
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-methyl-1,3-thiazol-2-yl)-2-[(2-phenylacetyl)amino]-1,3-thiazole-4-carboxamide
CID 84560120
3-[[benzyl(methyl)carbamoyl]amino]-N-(4-methyl-1,3-thiazol-2-yl)propanamide
CID 60577555
N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-3-[(2-phenylacetyl)amino]propanamide
CID 55487125
1-(4-methyl-1,3-thiazol-2-yl)-3-(2-phenylethyl)urea
CID 47194043
3-methyl-N-(4-methyl-1,3-thiazol-2-yl)-2-[(2-phenylacetyl)amino]butanamide
CID 74654559
N-(2-hydroxyethyl)-2-[(2-phenylacetyl)amino]-1,3-thiazole-4-carboxamide
CID 84555751
N-(4-methyl-1,3-thiazol-2-yl)-3-phenoxypropanamide
CID 17361679
3-methoxy-N-[3-[(4-methyl-1,3-thiazol-2-yl)amino]-3-oxopropyl]benzamide
CID 17226207
N-(1,3-benzothiazol-2-yl)-3-[(2-phenylacetyl)amino]propanamide
CID 18134779
2-[(2-phenylacetyl)amino]-N-(2-phenylethyl)-1,3-thiazole-4-carboxamide
CID 84555769
2-(4-bromophenyl)-N-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 798801
N-[4-(5-fluoro-2-methoxyphenyl)-1,3-thiazol-2-yl]-3-[(2-phenylacetyl)amino]propanamide
CID 55722948

Frequently Asked Questions

What is the IUPAC name of N-(4-methyl-1,3-thiazol-2-yl)-3-[(2-phenylacetyl)amino]propanamide?
The IUPAC name of N-(4-methyl-1,3-thiazol-2-yl)-3-[(2-phenylacetyl)amino]propanamide (CID 18134838) is N-(4-methyl-1,3-thiazol-2-yl)-3-[(2-phenylacetyl)amino]propanamide.
What is the SMILES notation for N-(4-methyl-1,3-thiazol-2-yl)-3-[(2-phenylacetyl)amino]propanamide?
The canonical SMILES for N-(4-methyl-1,3-thiazol-2-yl)-3-[(2-phenylacetyl)amino]propanamide is Cc1csc(NC(=O)CCNC(=O)Cc2ccccc2)n1.
What is the InChIKey of N-(4-methyl-1,3-thiazol-2-yl)-3-[(2-phenylacetyl)amino]propanamide?
The InChIKey is YSDWHAVAGSONFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O2S/c1-11-10-21-15(17-11)18-13(19)7-8-16-14(20)9-12-5-3-2-4-6-12/h2-6,10H,7-9H2,1H3,(H,16,20)(H,17,18,19).
What are the key properties of N-(4-methyl-1,3-thiazol-2-yl)-3-[(2-phenylacetyl)amino]propanamide?
N-(4-methyl-1,3-thiazol-2-yl)-3-[(2-phenylacetyl)amino]propanamide has a molecular weight of 303.39 g/mol, XLogP of 2.14, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methyl-1,3-thiazol-2-yl)-3-[(2-phenylacetyl)amino]propanamide is sourced from PubChem (CID 18134838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).