(3R)-3-(3-methylphenyl)-N-(4-methyl-1,3-thiazol-2-yl)-3-pyrrol-1-ylpropanamide

C18H19N3OS — CID 92709799

IUPAC(3R)-3-(3-methylphenyl)-N-(4-methyl-1,3-thiazol-2-yl)-3-pyrrol-1-ylpropanamide
SMILESCc1cccc([C@@H](CC(=O)Nc2nc(C)cs2)n2cccc2)c1
InChIInChI=1S/C18H19N3OS/c1-13-6-5-7-15(10-13)16(21-8-3-4-9-21)11-17(22)20-18-19-14(2)12-23-18/h3-10,12,16H,11H2,1-2H3,(H,19,20,22)/t16-/m1/s1
InChIKeyGTIKYENDJVCVAM-MRXNPFEDSA-N
MW325.44 g/mol
LogP4.18
Rot. Bonds5

About (3R)-3-(3-methylphenyl)-N-(4-methyl-1,3-thiazol-2-yl)-3-pyrrol-1-ylpropanamide

(3R)-3-(3-methylphenyl)-N-(4-methyl-1,3-thiazol-2-yl)-3-pyrrol-1-ylpropanamide (PubChem CID 92709799) has the molecular formula C18H19N3OS and a molecular weight of 325.44 g/mol. Its IUPAC name is (3R)-3-(3-methylphenyl)-N-(4-methyl-1,3-thiazol-2-yl)-3-pyrrol-1-ylpropanamide.

Molecular Properties

Compound Name(3R)-3-(3-methylphenyl)-N-(4-methyl-1,3-thiazol-2-yl)-3-pyrrol-1-ylpropanamide
PubChem CID92709799
Molecular FormulaC18H19N3OS
Molecular Weight325.44 g/mol
Exact Mass325.12
IUPAC Name(3R)-3-(3-methylphenyl)-N-(4-methyl-1,3-thiazol-2-yl)-3-pyrrol-1-ylpropanamide
SMILESCc1cccc([C@@H](CC(=O)Nc2nc(C)cs2)n2cccc2)c1
InChIInChI=1S/C18H19N3OS/c1-13-6-5-7-15(10-13)16(21-8-3-4-9-21)11-17(22)20-18-19-14(2)12-23-18/h3-10,12,16H,11H2,1-2H3,(H,19,20,22)/t16-/m1/s1
InChIKeyGTIKYENDJVCVAM-MRXNPFEDSA-N
XLogP4.18
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.44
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3R)-3-(3-methylphenyl)-N-phenyl-3-pyrrol-1-ylpropanamide
CID 92710134
3-(3-methylphenyl)-3-pyrrol-1-yl-N-(thiophen-2-ylmethyl)propanamide
CID 45106963
N-(2-methoxyphenyl)-3-(3-methylphenyl)-3-pyrrol-1-ylpropanamide
CID 46343061
(3S)-N-(4-chloro-2-fluorophenyl)-3-(3-methylphenyl)-3-pyrrol-1-ylpropanamide
CID 92710109
N-cyclopentyl-3-(3-methylphenyl)-3-pyrrol-1-ylpropanamide
CID 46342997
(3R)-N-[(4-methoxyphenyl)methyl]-3-(3-methylphenyl)-3-pyrrol-1-ylpropanamide
CID 92709852
N-[(1R)-3-[(4-methyl-1,3-thiazol-2-yl)amino]-3-oxo-1-phenylpropyl]benzamide
CID 2113874
(3R)-N-[[4-(dimethylamino)phenyl]methyl]-3-(3-methylphenyl)-3-pyrrol-1-ylpropanamide
CID 92710145
2-(3-hydroxyphenyl)sulfanyl-N-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 104590763
(3S)-3-(3-methoxyphenyl)-N-(4-methylphenyl)-3-pyrrol-1-ylpropanamide
CID 92709616
3-(3-methoxyphenyl)-N-(4-methylphenyl)-3-pyrrol-1-ylpropanamide
CID 46342886
(3R)-3-(3-methoxyphenyl)-N-(4-methylphenyl)-3-pyrrol-1-ylpropanamide
CID 92709615

Frequently Asked Questions

What is the IUPAC name of (3R)-3-(3-methylphenyl)-N-(4-methyl-1,3-thiazol-2-yl)-3-pyrrol-1-ylpropanamide?
The IUPAC name of (3R)-3-(3-methylphenyl)-N-(4-methyl-1,3-thiazol-2-yl)-3-pyrrol-1-ylpropanamide (CID 92709799) is (3R)-3-(3-methylphenyl)-N-(4-methyl-1,3-thiazol-2-yl)-3-pyrrol-1-ylpropanamide.
What is the SMILES notation for (3R)-3-(3-methylphenyl)-N-(4-methyl-1,3-thiazol-2-yl)-3-pyrrol-1-ylpropanamide?
The canonical SMILES for (3R)-3-(3-methylphenyl)-N-(4-methyl-1,3-thiazol-2-yl)-3-pyrrol-1-ylpropanamide is Cc1cccc([C@@H](CC(=O)Nc2nc(C)cs2)n2cccc2)c1.
What is the InChIKey of (3R)-3-(3-methylphenyl)-N-(4-methyl-1,3-thiazol-2-yl)-3-pyrrol-1-ylpropanamide?
The InChIKey is GTIKYENDJVCVAM-MRXNPFEDSA-N. The full InChI is InChI=1S/C18H19N3OS/c1-13-6-5-7-15(10-13)16(21-8-3-4-9-21)11-17(22)20-18-19-14(2)12-23-18/h3-10,12,16H,11H2,1-2H3,(H,19,20,22)/t16-/m1/s1.
What are the key properties of (3R)-3-(3-methylphenyl)-N-(4-methyl-1,3-thiazol-2-yl)-3-pyrrol-1-ylpropanamide?
(3R)-3-(3-methylphenyl)-N-(4-methyl-1,3-thiazol-2-yl)-3-pyrrol-1-ylpropanamide has a molecular weight of 325.44 g/mol, XLogP of 4.18, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(3-methylphenyl)-N-(4-methyl-1,3-thiazol-2-yl)-3-pyrrol-1-ylpropanamide is sourced from PubChem (CID 92709799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).