4-methyl-2-(phenylcarbamoylamino)-N-(1-phenylethyl)-1,3-thiazole-5-carboxamide

C20H20N4O2S — CID 16897031

IUPAC4-methyl-2-(phenylcarbamoylamino)-N-(1-phenylethyl)-1,3-thiazole-5-carboxamide
SMILESCc1nc(NC(=O)Nc2ccccc2)sc1C(=O)NC(C)c1ccccc1
InChIInChI=1S/C20H20N4O2S/c1-13(15-9-5-3-6-10-15)21-18(25)17-14(2)22-20(27-17)24-19(26)23-16-11-7-4-8-12-16/h3-13H,1-2H3,(H,21,25)(H2,22,23,24,26)
InChIKeyGUSVLDRFUZWLIJ-UHFFFAOYSA-N
MW380.47 g/mol
LogP4.59
Rot. Bonds5

About 4-methyl-2-(phenylcarbamoylamino)-N-(1-phenylethyl)-1,3-thiazole-5-carboxamide

4-methyl-2-(phenylcarbamoylamino)-N-(1-phenylethyl)-1,3-thiazole-5-carboxamide (PubChem CID 16897031) has the molecular formula C20H20N4O2S and a molecular weight of 380.47 g/mol. Its IUPAC name is 4-methyl-2-(phenylcarbamoylamino)-N-(1-phenylethyl)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name4-methyl-2-(phenylcarbamoylamino)-N-(1-phenylethyl)-1,3-thiazole-5-carboxamide
PubChem CID16897031
Molecular FormulaC20H20N4O2S
Molecular Weight380.47 g/mol
Exact Mass380.13
IUPAC Name4-methyl-2-(phenylcarbamoylamino)-N-(1-phenylethyl)-1,3-thiazole-5-carboxamide
SMILESCc1nc(NC(=O)Nc2ccccc2)sc1C(=O)NC(C)c1ccccc1
InChIInChI=1S/C20H20N4O2S/c1-13(15-9-5-3-6-10-15)21-18(25)17-14(2)22-20(27-17)24-19(26)23-16-11-7-4-8-12-16/h3-13H,1-2H3,(H,21,25)(H2,22,23,24,26)
InChIKeyGUSVLDRFUZWLIJ-UHFFFAOYSA-N
XLogP4.59
TPSA83.12 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.47
LogP ≤ 54.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-methyl-2-(methylamino)-N-(1-phenylethyl)-1,3-thiazole-5-carboxamide
CID 110386327
N-(4-chlorophenyl)-4-methyl-2-(phenylcarbamoylamino)-1,3-thiazole-5-carboxamide
CID 16897056
4-methyl-2-phenyl-N-[(1R)-1-phenylethyl]-1,3-thiazole-5-carboxamide
CID 9123977
1-[5-(4-benzhydrylpiperazine-1-carbonyl)-4-methyl-1,3-thiazol-2-yl]-3-phenylurea
CID 16897004
N-(3-methoxyphenyl)-4-methyl-2-(phenylcarbamoylamino)-1,3-thiazole-5-carboxamide
CID 16897062
4-methyl-N-(4-methyl-1,3-benzothiazol-2-yl)-2-(phenylcarbamoylamino)-1,3-thiazole-5-carboxamide
CID 16897101
2-[(5-fluoro-2-pyridinyl)amino]-4-methyl-N-[(1R)-1-phenylethyl]-1,3-thiazole-5-carboxamide
CID 95113696
N-[(4-chlorophenyl)methyl]-4-methyl-2-(phenylcarbamoylamino)-1,3-thiazole-5-carboxamide
CID 16897032
1-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-3-(4-propan-2-ylphenyl)urea
CID 35281693
5-(phenylcarbamoylamino)-N-(1-phenylethyl)thiophene-2-carboxamide
CID 78846553
2-(methoxymethyl)-4-methyl-N-(1-phenylethyl)-1,3-thiazole-5-carboxamide
CID 110374805
N,4-dimethyl-2-[(4-methylphenyl)carbamoylamino]-1,3-thiazole-5-carboxamide
CID 16897397

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-(phenylcarbamoylamino)-N-(1-phenylethyl)-1,3-thiazole-5-carboxamide?
The IUPAC name of 4-methyl-2-(phenylcarbamoylamino)-N-(1-phenylethyl)-1,3-thiazole-5-carboxamide (CID 16897031) is 4-methyl-2-(phenylcarbamoylamino)-N-(1-phenylethyl)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 4-methyl-2-(phenylcarbamoylamino)-N-(1-phenylethyl)-1,3-thiazole-5-carboxamide?
The canonical SMILES for 4-methyl-2-(phenylcarbamoylamino)-N-(1-phenylethyl)-1,3-thiazole-5-carboxamide is Cc1nc(NC(=O)Nc2ccccc2)sc1C(=O)NC(C)c1ccccc1.
What is the InChIKey of 4-methyl-2-(phenylcarbamoylamino)-N-(1-phenylethyl)-1,3-thiazole-5-carboxamide?
The InChIKey is GUSVLDRFUZWLIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O2S/c1-13(15-9-5-3-6-10-15)21-18(25)17-14(2)22-20(27-17)24-19(26)23-16-11-7-4-8-12-16/h3-13H,1-2H3,(H,21,25)(H2,22,23,24,26).
What are the key properties of 4-methyl-2-(phenylcarbamoylamino)-N-(1-phenylethyl)-1,3-thiazole-5-carboxamide?
4-methyl-2-(phenylcarbamoylamino)-N-(1-phenylethyl)-1,3-thiazole-5-carboxamide has a molecular weight of 380.47 g/mol, XLogP of 4.59, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-(phenylcarbamoylamino)-N-(1-phenylethyl)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 16897031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).