N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-3-phenylpropanamide

C15H18N2OS — CID 110441535

IUPACN-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-3-phenylpropanamide
SMILESCc1nc(CNC(=O)CCc2ccccc2)sc1C
InChIInChI=1S/C15H18N2OS/c1-11-12(2)19-15(17-11)10-16-14(18)9-8-13-6-4-3-5-7-13/h3-7H,8-10H2,1-2H3,(H,16,18)
InChIKeyDVTMQIUALLIXJW-UHFFFAOYSA-N
MW274.39 g/mol
LogP3.01
Rot. Bonds5

About N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-3-phenylpropanamide

N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-3-phenylpropanamide (PubChem CID 110441535) has the molecular formula C15H18N2OS and a molecular weight of 274.39 g/mol. Its IUPAC name is N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-3-phenylpropanamide.

Molecular Properties

Compound NameN-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-3-phenylpropanamide
PubChem CID110441535
Molecular FormulaC15H18N2OS
Molecular Weight274.39 g/mol
Exact Mass274.11
IUPAC NameN-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-3-phenylpropanamide
SMILESCc1nc(CNC(=O)CCc2ccccc2)sc1C
InChIInChI=1S/C15H18N2OS/c1-11-12(2)19-15(17-11)10-16-14(18)9-8-13-6-4-3-5-7-13/h3-7H,8-10H2,1-2H3,(H,16,18)
InChIKeyDVTMQIUALLIXJW-UHFFFAOYSA-N
XLogP3.01
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.39
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-3-(4-fluorophenyl)propanamide
CID 110739127
2-[3-[(4,5-dimethyl-1,3-thiazol-2-yl)methylamino]-3-oxopropyl]benzoic acid
CID 120550517
3-(4,5-dimethyl-1,3-thiazol-2-yl)-N-(pyridin-2-ylmethyl)propanamide
CID 110388696
N-(4,5-dimethyl-1,3-thiazol-2-yl)-3-phenylpropanamide
CID 733834
N-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)methylamino]-2-oxoethyl]benzamide
CID 110443135
N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]benzamide
CID 58883688
3-bromo-N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]propanamide
CID 82110091
phenyl N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]carbamate
CID 110739115
N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-3-[5-[2-(4-methoxyphenyl)ethyl]-1,3,4-oxadiazol-2-yl]propanamide
CID 25377787
N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-2-(2-methoxyphenyl)acetamide
CID 110446475
N-[(5-benzyl-4-methyl-1,3-thiazol-2-yl)methyl]-3-(2-methoxyphenyl)propanamide
CID 110421321
4-[[(4,5-dimethyl-1,3-thiazol-2-yl)methylcarbamoylamino]methyl]benzoic acid
CID 122004521

Frequently Asked Questions

What is the IUPAC name of N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-3-phenylpropanamide?
The IUPAC name of N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-3-phenylpropanamide (CID 110441535) is N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-3-phenylpropanamide.
What is the SMILES notation for N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-3-phenylpropanamide?
The canonical SMILES for N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-3-phenylpropanamide is Cc1nc(CNC(=O)CCc2ccccc2)sc1C.
What is the InChIKey of N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-3-phenylpropanamide?
The InChIKey is DVTMQIUALLIXJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2OS/c1-11-12(2)19-15(17-11)10-16-14(18)9-8-13-6-4-3-5-7-13/h3-7H,8-10H2,1-2H3,(H,16,18).
What are the key properties of N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-3-phenylpropanamide?
N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-3-phenylpropanamide has a molecular weight of 274.39 g/mol, XLogP of 3.01, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-3-phenylpropanamide is sourced from PubChem (CID 110441535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).