ethyl N-[4-(4-methylphenyl)-2-[(2-phenylcyclopropanecarbonyl)amino]-1,3-thiazol-5-yl]carbamate

C23H23N3O3S — CID 154811058

IUPACethyl N-[4-(4-methylphenyl)-2-[(2-phenylcyclopropanecarbonyl)amino]-1,3-thiazol-5-yl]carbamate
SMILESCCOC(=O)Nc1sc(NC(=O)C2CC2c2ccccc2)nc1-c1ccc(C)cc1
InChIInChI=1S/C23H23N3O3S/c1-3-29-23(28)26-21-19(16-11-9-14(2)10-12-16)24-22(30-21)25-20(27)18-13-17(18)15-7-5-4-6-8-15/h4-12,17-18H,3,13H2,1-2H3,(H,26,28)(H,24,25,27)
InChIKeyLUKZNTVPVSEJGP-UHFFFAOYSA-N
MW421.52 g/mol
LogP5.43
Rot. Bonds6

About ethyl N-[4-(4-methylphenyl)-2-[(2-phenylcyclopropanecarbonyl)amino]-1,3-thiazol-5-yl]carbamate

ethyl N-[4-(4-methylphenyl)-2-[(2-phenylcyclopropanecarbonyl)amino]-1,3-thiazol-5-yl]carbamate (PubChem CID 154811058) has the molecular formula C23H23N3O3S and a molecular weight of 421.52 g/mol. Its IUPAC name is ethyl N-[4-(4-methylphenyl)-2-[(2-phenylcyclopropanecarbonyl)amino]-1,3-thiazol-5-yl]carbamate.

Molecular Properties

Compound Nameethyl N-[4-(4-methylphenyl)-2-[(2-phenylcyclopropanecarbonyl)amino]-1,3-thiazol-5-yl]carbamate
PubChem CID154811058
Molecular FormulaC23H23N3O3S
Molecular Weight421.52 g/mol
Exact Mass421.15
IUPAC Nameethyl N-[4-(4-methylphenyl)-2-[(2-phenylcyclopropanecarbonyl)amino]-1,3-thiazol-5-yl]carbamate
SMILESCCOC(=O)Nc1sc(NC(=O)C2CC2c2ccccc2)nc1-c1ccc(C)cc1
InChIInChI=1S/C23H23N3O3S/c1-3-29-23(28)26-21-19(16-11-9-14(2)10-12-16)24-22(30-21)25-20(27)18-13-17(18)15-7-5-4-6-8-15/h4-12,17-18H,3,13H2,1-2H3,(H,26,28)(H,24,25,27)
InChIKeyLUKZNTVPVSEJGP-UHFFFAOYSA-N
XLogP5.43
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500421.52
LogP ≤ 55.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-2-phenylcyclopropane-1-carboxamide
CID 5015586
cis-(1R,2S)-N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-2-phenylcyclopropane-1-carboxamide
CID 35760812
ethyl N-[5-[(3-methylbenzoyl)amino]-4-phenyl-1,3-thiazol-2-yl]carbamate
CID 121065509
ethyl N-[5-(naphthalene-2-carbonylamino)-4-phenyl-1,3-thiazol-2-yl]carbamate
CID 121065559
trans-(1R,2R)-N-(6-methyl-1,3-benzothiazol-2-yl)-2-phenylcyclopropane-1-carboxamide
CID 742465
ethyl N-(5-amino-4-phenyl-1,3-thiazol-2-yl)carbamate
CID 58911903
ethyl N-[5-[(5-methyl-1,2-oxazole-3-carbonyl)amino]-4-phenyl-1,3-thiazol-2-yl]carbamate
CID 121065632
ethyl N-[2-(4-methoxyphenyl)-4-(4-methylphenyl)-1,3-thiazol-5-yl]carbamate
CID 91900912
4-ethyl-5-methyl-2-[[(1S,2S)-2-phenylcyclopropanecarbonyl]amino]thiophene-3-carboxamide
CID 898789
ethyl N-[5-[(2-nitrobenzoyl)amino]-4-phenyl-1,3-thiazol-2-yl]carbamate
CID 121065546
ethyl N-[5-[(4-nitrobenzoyl)amino]-4-phenyl-1,3-thiazol-2-yl]carbamate
CID 121065548
ethyl 2-[[(1R,2S)-2-phenylcyclopropanecarbonyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
CID 1272849

Frequently Asked Questions

What is the IUPAC name of ethyl N-[4-(4-methylphenyl)-2-[(2-phenylcyclopropanecarbonyl)amino]-1,3-thiazol-5-yl]carbamate?
The IUPAC name of ethyl N-[4-(4-methylphenyl)-2-[(2-phenylcyclopropanecarbonyl)amino]-1,3-thiazol-5-yl]carbamate (CID 154811058) is ethyl N-[4-(4-methylphenyl)-2-[(2-phenylcyclopropanecarbonyl)amino]-1,3-thiazol-5-yl]carbamate.
What is the SMILES notation for ethyl N-[4-(4-methylphenyl)-2-[(2-phenylcyclopropanecarbonyl)amino]-1,3-thiazol-5-yl]carbamate?
The canonical SMILES for ethyl N-[4-(4-methylphenyl)-2-[(2-phenylcyclopropanecarbonyl)amino]-1,3-thiazol-5-yl]carbamate is CCOC(=O)Nc1sc(NC(=O)C2CC2c2ccccc2)nc1-c1ccc(C)cc1.
What is the InChIKey of ethyl N-[4-(4-methylphenyl)-2-[(2-phenylcyclopropanecarbonyl)amino]-1,3-thiazol-5-yl]carbamate?
The InChIKey is LUKZNTVPVSEJGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O3S/c1-3-29-23(28)26-21-19(16-11-9-14(2)10-12-16)24-22(30-21)25-20(27)18-13-17(18)15-7-5-4-6-8-15/h4-12,17-18H,3,13H2,1-2H3,(H,26,28)(H,24,25,27).
What are the key properties of ethyl N-[4-(4-methylphenyl)-2-[(2-phenylcyclopropanecarbonyl)amino]-1,3-thiazol-5-yl]carbamate?
ethyl N-[4-(4-methylphenyl)-2-[(2-phenylcyclopropanecarbonyl)amino]-1,3-thiazol-5-yl]carbamate has a molecular weight of 421.52 g/mol, XLogP of 5.43, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[4-(4-methylphenyl)-2-[(2-phenylcyclopropanecarbonyl)amino]-1,3-thiazol-5-yl]carbamate is sourced from PubChem (CID 154811058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).