2-[[(2,2-diphenylacetyl)-propan-2-ylamino]methyl]-N-propan-2-yl-1,3-thiazole-4-carboxamide

C25H29N3O2S — CID 1195988

IUPAC2-[[(2,2-diphenylacetyl)-propan-2-ylamino]methyl]-N-propan-2-yl-1,3-thiazole-4-carboxamide
SMILESCC(C)NC(=O)c1csc(CN(C(=O)C(c2ccccc2)c2ccccc2)C(C)C)n1
InChIInChI=1S/C25H29N3O2S/c1-17(2)26-24(29)21-16-31-22(27-21)15-28(18(3)4)25(30)23(19-11-7-5-8-12-19)20-13-9-6-10-14-20/h5-14,16-18,23H,15H2,1-4H3,(H,26,29)
InChIKeyPUGAAYSZJHCRBU-UHFFFAOYSA-N
MW435.59 g/mol
LogP4.85
Rot. Bonds8

About 2-[[(2,2-diphenylacetyl)-propan-2-ylamino]methyl]-N-propan-2-yl-1,3-thiazole-4-carboxamide

2-[[(2,2-diphenylacetyl)-propan-2-ylamino]methyl]-N-propan-2-yl-1,3-thiazole-4-carboxamide (PubChem CID 1195988) has the molecular formula C25H29N3O2S and a molecular weight of 435.59 g/mol. Its IUPAC name is 2-[[(2,2-diphenylacetyl)-propan-2-ylamino]methyl]-N-propan-2-yl-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-[[(2,2-diphenylacetyl)-propan-2-ylamino]methyl]-N-propan-2-yl-1,3-thiazole-4-carboxamide
PubChem CID1195988
Molecular FormulaC25H29N3O2S
Molecular Weight435.59 g/mol
Exact Mass435.20
IUPAC Name2-[[(2,2-diphenylacetyl)-propan-2-ylamino]methyl]-N-propan-2-yl-1,3-thiazole-4-carboxamide
SMILESCC(C)NC(=O)c1csc(CN(C(=O)C(c2ccccc2)c2ccccc2)C(C)C)n1
InChIInChI=1S/C25H29N3O2S/c1-17(2)26-24(29)21-16-31-22(27-21)15-28(18(3)4)25(30)23(19-11-7-5-8-12-19)20-13-9-6-10-14-20/h5-14,16-18,23H,15H2,1-4H3,(H,26,29)
InChIKeyPUGAAYSZJHCRBU-UHFFFAOYSA-N
XLogP4.85
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.59
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[propanoyl(propan-2-yl)amino]methyl]-N-propan-2-yl-1,3-thiazole-4-carboxamide
CID 810497
2-[[3-methylbutanoyl(propan-2-yl)amino]methyl]-N-propan-2-yl-1,3-thiazole-4-carboxamide
CID 3494429
2-[[benzenesulfonyl(propan-2-yl)amino]methyl]-N-propan-2-yl-1,3-thiazole-4-carboxamide
CID 1196160
2-benzyl-N-propan-2-yl-1,3-thiazole-4-carboxamide
CID 38766578
2-[[(3,4-dichlorophenyl)carbamoyl-propan-2-ylamino]methyl]-N-propan-2-yl-1,3-thiazole-4-carboxamide
CID 1196095
N-benzhydryl-2-[[(2-fluorophenyl)carbamoyl-propan-2-ylamino]methyl]-1,3-thiazole-4-carboxamide
CID 1199559
N-propan-2-yl-2-[[propan-2-yl-[(3S)-3,5,5-trimethylhexanoyl]amino]methyl]-1,3-thiazole-4-carboxamide
CID 7397194
2-[[heptanoyl(propan-2-yl)amino]methyl]-N-propan-2-yl-1,3-thiazole-4-carboxamide
CID 3399602
2-(aminomethyl)-N-(3-phenylbutan-2-yl)-1,3-thiazole-4-carboxamide
CID 119790485
2-[[[(E)-3-(4-nitrophenyl)prop-2-enoyl]-propan-2-ylamino]methyl]-N-propan-2-yl-1,3-thiazole-4-carboxamide
CID 1196011
2-[[3-(4-nitrophenyl)prop-2-enoyl-propan-2-ylamino]methyl]-N-propan-2-yl-1,3-thiazole-4-carboxamide
CID 1196010
(2S)-2-[[2-(2-methylpropyl)-1,3-thiazole-4-carbonyl]amino]-2-phenylacetic acid
CID 99702625

Frequently Asked Questions

What is the IUPAC name of 2-[[(2,2-diphenylacetyl)-propan-2-ylamino]methyl]-N-propan-2-yl-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-[[(2,2-diphenylacetyl)-propan-2-ylamino]methyl]-N-propan-2-yl-1,3-thiazole-4-carboxamide (CID 1195988) is 2-[[(2,2-diphenylacetyl)-propan-2-ylamino]methyl]-N-propan-2-yl-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-[[(2,2-diphenylacetyl)-propan-2-ylamino]methyl]-N-propan-2-yl-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-[[(2,2-diphenylacetyl)-propan-2-ylamino]methyl]-N-propan-2-yl-1,3-thiazole-4-carboxamide is CC(C)NC(=O)c1csc(CN(C(=O)C(c2ccccc2)c2ccccc2)C(C)C)n1.
What is the InChIKey of 2-[[(2,2-diphenylacetyl)-propan-2-ylamino]methyl]-N-propan-2-yl-1,3-thiazole-4-carboxamide?
The InChIKey is PUGAAYSZJHCRBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N3O2S/c1-17(2)26-24(29)21-16-31-22(27-21)15-28(18(3)4)25(30)23(19-11-7-5-8-12-19)20-13-9-6-10-14-20/h5-14,16-18,23H,15H2,1-4H3,(H,26,29).
What are the key properties of 2-[[(2,2-diphenylacetyl)-propan-2-ylamino]methyl]-N-propan-2-yl-1,3-thiazole-4-carboxamide?
2-[[(2,2-diphenylacetyl)-propan-2-ylamino]methyl]-N-propan-2-yl-1,3-thiazole-4-carboxamide has a molecular weight of 435.59 g/mol, XLogP of 4.85, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2,2-diphenylacetyl)-propan-2-ylamino]methyl]-N-propan-2-yl-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 1195988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).