N-[1-(cyclopropylamino)-1-oxo-3-phenylpropan-2-yl]-4-methyl-2-(2-phenylpropan-2-yl)-1,3-thiazole-5-carboxamide

C26H29N3O2S — CID 166195024

IUPACN-[1-(cyclopropylamino)-1-oxo-3-phenylpropan-2-yl]-4-methyl-2-(2-phenylpropan-2-yl)-1,3-thiazole-5-carboxamide
SMILESCc1nc(C(C)(C)c2ccccc2)sc1C(=O)NC(Cc1ccccc1)C(=O)NC1CC1
InChIInChI=1S/C26H29N3O2S/c1-17-22(32-25(27-17)26(2,3)19-12-8-5-9-13-19)24(31)29-21(23(30)28-20-14-15-20)16-18-10-6-4-7-11-18/h4-13,20-21H,14-16H2,1-3H3,(H,28,30)(H,29,31)
InChIKeyBATCWHGANQBKFU-UHFFFAOYSA-N
MW447.60 g/mol
LogP4.40
Rot. Bonds8

About N-[1-(cyclopropylamino)-1-oxo-3-phenylpropan-2-yl]-4-methyl-2-(2-phenylpropan-2-yl)-1,3-thiazole-5-carboxamide

N-[1-(cyclopropylamino)-1-oxo-3-phenylpropan-2-yl]-4-methyl-2-(2-phenylpropan-2-yl)-1,3-thiazole-5-carboxamide (PubChem CID 166195024) has the molecular formula C26H29N3O2S and a molecular weight of 447.60 g/mol. Its IUPAC name is N-[1-(cyclopropylamino)-1-oxo-3-phenylpropan-2-yl]-4-methyl-2-(2-phenylpropan-2-yl)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-[1-(cyclopropylamino)-1-oxo-3-phenylpropan-2-yl]-4-methyl-2-(2-phenylpropan-2-yl)-1,3-thiazole-5-carboxamide
PubChem CID166195024
Molecular FormulaC26H29N3O2S
Molecular Weight447.60 g/mol
Exact Mass447.20
IUPAC NameN-[1-(cyclopropylamino)-1-oxo-3-phenylpropan-2-yl]-4-methyl-2-(2-phenylpropan-2-yl)-1,3-thiazole-5-carboxamide
SMILESCc1nc(C(C)(C)c2ccccc2)sc1C(=O)NC(Cc1ccccc1)C(=O)NC1CC1
InChIInChI=1S/C26H29N3O2S/c1-17-22(32-25(27-17)26(2,3)19-12-8-5-9-13-19)24(31)29-21(23(30)28-20-14-15-20)16-18-10-6-4-7-11-18/h4-13,20-21H,14-16H2,1-3H3,(H,28,30)(H,29,31)
InChIKeyBATCWHGANQBKFU-UHFFFAOYSA-N
XLogP4.40
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.60
LogP ≤ 54.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-[(1-methylpiperidin-4-yl)amino]-1-oxo-3-phenylpropan-2-yl]benzamide
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N-[(2S)-1-(cyclopropylamino)-1-oxo-3-phenylpropan-2-yl]-5-methyl-1H-pyrazole-4-carboxamide
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N-[(2R)-1-(cyclopropylamino)-1-oxo-3-phenylpropan-2-yl]-5-(3,4-dimethylphenyl)-1,2-oxazole-3-carboxamide
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N-[1-(cyclopropylamino)-1-oxo-3-phenylpropan-2-yl]-5-(furan-2-yl)-1,2-oxazole-3-carboxamide
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N-[(2R)-1-(cyclopropylamino)-1-oxo-3-phenylpropan-2-yl]-5-propan-2-yl-1H-pyrazole-3-carboxamide
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N-[1-oxo-3-phenyl-1-[(1-propylpiperidin-4-yl)amino]propan-2-yl]benzamide
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2-[[2-(2,6-dichlorophenyl)-4-methyl-1,3-thiazole-5-carbonyl]amino]-3-phenylpropanoic acid
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(2S)-N-cyclopropyl-2-(naphthalen-1-ylcarbamoylamino)-3-phenylpropanamide
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Frequently Asked Questions

What is the IUPAC name of N-[1-(cyclopropylamino)-1-oxo-3-phenylpropan-2-yl]-4-methyl-2-(2-phenylpropan-2-yl)-1,3-thiazole-5-carboxamide?
The IUPAC name of N-[1-(cyclopropylamino)-1-oxo-3-phenylpropan-2-yl]-4-methyl-2-(2-phenylpropan-2-yl)-1,3-thiazole-5-carboxamide (CID 166195024) is N-[1-(cyclopropylamino)-1-oxo-3-phenylpropan-2-yl]-4-methyl-2-(2-phenylpropan-2-yl)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-[1-(cyclopropylamino)-1-oxo-3-phenylpropan-2-yl]-4-methyl-2-(2-phenylpropan-2-yl)-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-[1-(cyclopropylamino)-1-oxo-3-phenylpropan-2-yl]-4-methyl-2-(2-phenylpropan-2-yl)-1,3-thiazole-5-carboxamide is Cc1nc(C(C)(C)c2ccccc2)sc1C(=O)NC(Cc1ccccc1)C(=O)NC1CC1.
What is the InChIKey of N-[1-(cyclopropylamino)-1-oxo-3-phenylpropan-2-yl]-4-methyl-2-(2-phenylpropan-2-yl)-1,3-thiazole-5-carboxamide?
The InChIKey is BATCWHGANQBKFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N3O2S/c1-17-22(32-25(27-17)26(2,3)19-12-8-5-9-13-19)24(31)29-21(23(30)28-20-14-15-20)16-18-10-6-4-7-11-18/h4-13,20-21H,14-16H2,1-3H3,(H,28,30)(H,29,31).
What are the key properties of N-[1-(cyclopropylamino)-1-oxo-3-phenylpropan-2-yl]-4-methyl-2-(2-phenylpropan-2-yl)-1,3-thiazole-5-carboxamide?
N-[1-(cyclopropylamino)-1-oxo-3-phenylpropan-2-yl]-4-methyl-2-(2-phenylpropan-2-yl)-1,3-thiazole-5-carboxamide has a molecular weight of 447.60 g/mol, XLogP of 4.40, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(cyclopropylamino)-1-oxo-3-phenylpropan-2-yl]-4-methyl-2-(2-phenylpropan-2-yl)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 166195024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).