N-benzyl-2,5-dimethyl-N-(1,3-thiazol-2-ylmethyl)-1,3-thiazole-4-carboxamide

C17H17N3OS2 — CID 77094415

IUPACN-benzyl-2,5-dimethyl-N-(1,3-thiazol-2-ylmethyl)-1,3-thiazole-4-carboxamide
SMILESCc1nc(C(=O)N(Cc2ccccc2)Cc2nccs2)c(C)s1
InChIInChI=1S/C17H17N3OS2/c1-12-16(19-13(2)23-12)17(21)20(11-15-18-8-9-22-15)10-14-6-4-3-5-7-14/h3-9H,10-11H2,1-2H3
InChIKeyUNMROBVONFSYMK-UHFFFAOYSA-N
MW343.48 g/mol
LogP4.06
Rot. Bonds5

About N-benzyl-2,5-dimethyl-N-(1,3-thiazol-2-ylmethyl)-1,3-thiazole-4-carboxamide

N-benzyl-2,5-dimethyl-N-(1,3-thiazol-2-ylmethyl)-1,3-thiazole-4-carboxamide (PubChem CID 77094415) has the molecular formula C17H17N3OS2 and a molecular weight of 343.48 g/mol. Its IUPAC name is N-benzyl-2,5-dimethyl-N-(1,3-thiazol-2-ylmethyl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-benzyl-2,5-dimethyl-N-(1,3-thiazol-2-ylmethyl)-1,3-thiazole-4-carboxamide
PubChem CID77094415
Molecular FormulaC17H17N3OS2
Molecular Weight343.48 g/mol
Exact Mass343.08
IUPAC NameN-benzyl-2,5-dimethyl-N-(1,3-thiazol-2-ylmethyl)-1,3-thiazole-4-carboxamide
SMILESCc1nc(C(=O)N(Cc2ccccc2)Cc2nccs2)c(C)s1
InChIInChI=1S/C17H17N3OS2/c1-12-16(19-13(2)23-12)17(21)20(11-15-18-8-9-22-15)10-14-6-4-3-5-7-14/h3-9H,10-11H2,1-2H3
InChIKeyUNMROBVONFSYMK-UHFFFAOYSA-N
XLogP4.06
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.48
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-methoxy-N-[(3-phenylphenyl)methyl]-N-(1,3-thiazol-2-ylmethyl)acetamide
CID 4662287
N-benzyl-2,5-dimethyl-1,3-thiazole-4-carboxamide
CID 110465518
N-(2-aminoethyl)-N-benzyl-5-(4-fluorophenyl)-2-methyl-1,3-thiazole-4-carboxamide
CID 68727708
4-[[(2,5-dimethyl-1,3-thiazole-4-carbonyl)-methylamino]methyl]benzoic acid
CID 120523750
N-benzyl-2-[(1S)-3-oxo-1,2-dihydroisoindol-1-yl]-N-(1,3-thiazol-2-ylmethyl)acetamide
CID 95140328
N-benzyl-N-(1,3-thiazol-2-ylmethyl)pyrrolidine-2-carboxamide
CID 50960994
propyl(1,3-thiazol-2-ylmethyl)carbamic acid
CID 69435143
2,5-dimethyl-N-(1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide
CID 110465502
N-benzyl-3-(1-methylpiperidin-2-yl)-N-(1,3-thiazol-2-ylmethyl)propanamide
CID 46992210
N-benzyl-N-ethyl-2-(1,3-thiazol-2-ylamino)acetamide
CID 110694015
2-[[carboxy(3-phenylpropyl)amino]methyl]-5-methyl-1,3-thiazole-4-carboxylic acid
CID 70349303
N-[2-[benzyl-(2-methyl-5-phenyl-1,3-thiazole-4-carbonyl)amino]ethyl]-6-methylimidazo[2,1-b][1,3]thiazole-5-carboxamide
CID 25189440

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2,5-dimethyl-N-(1,3-thiazol-2-ylmethyl)-1,3-thiazole-4-carboxamide?
The IUPAC name of N-benzyl-2,5-dimethyl-N-(1,3-thiazol-2-ylmethyl)-1,3-thiazole-4-carboxamide (CID 77094415) is N-benzyl-2,5-dimethyl-N-(1,3-thiazol-2-ylmethyl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-benzyl-2,5-dimethyl-N-(1,3-thiazol-2-ylmethyl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-benzyl-2,5-dimethyl-N-(1,3-thiazol-2-ylmethyl)-1,3-thiazole-4-carboxamide is Cc1nc(C(=O)N(Cc2ccccc2)Cc2nccs2)c(C)s1.
What is the InChIKey of N-benzyl-2,5-dimethyl-N-(1,3-thiazol-2-ylmethyl)-1,3-thiazole-4-carboxamide?
The InChIKey is UNMROBVONFSYMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3OS2/c1-12-16(19-13(2)23-12)17(21)20(11-15-18-8-9-22-15)10-14-6-4-3-5-7-14/h3-9H,10-11H2,1-2H3.
What are the key properties of N-benzyl-2,5-dimethyl-N-(1,3-thiazol-2-ylmethyl)-1,3-thiazole-4-carboxamide?
N-benzyl-2,5-dimethyl-N-(1,3-thiazol-2-ylmethyl)-1,3-thiazole-4-carboxamide has a molecular weight of 343.48 g/mol, XLogP of 4.06, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2,5-dimethyl-N-(1,3-thiazol-2-ylmethyl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 77094415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).