N,1-dimethyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-5-phenylpyrrole-2-carboxamide

C19H21N3OS — CID 70748986

IUPACN,1-dimethyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-5-phenylpyrrole-2-carboxamide
SMILESCc1ncsc1CCN(C)C(=O)c1ccc(-c2ccccc2)n1C
InChIInChI=1S/C19H21N3OS/c1-14-18(24-13-20-14)11-12-21(2)19(23)17-10-9-16(22(17)3)15-7-5-4-6-8-15/h4-10,13H,11-12H2,1-3H3
InChIKeyJUUZRXIFDBLBOX-UHFFFAOYSA-N
MW339.46 g/mol
LogP3.77
Rot. Bonds5

About N,1-dimethyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-5-phenylpyrrole-2-carboxamide

N,1-dimethyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-5-phenylpyrrole-2-carboxamide (PubChem CID 70748986) has the molecular formula C19H21N3OS and a molecular weight of 339.46 g/mol. Its IUPAC name is N,1-dimethyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-5-phenylpyrrole-2-carboxamide.

Molecular Properties

Compound NameN,1-dimethyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-5-phenylpyrrole-2-carboxamide
PubChem CID70748986
Molecular FormulaC19H21N3OS
Molecular Weight339.46 g/mol
Exact Mass339.14
IUPAC NameN,1-dimethyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-5-phenylpyrrole-2-carboxamide
SMILESCc1ncsc1CCN(C)C(=O)c1ccc(-c2ccccc2)n1C
InChIInChI=1S/C19H21N3OS/c1-14-18(24-13-20-14)11-12-21(2)19(23)17-10-9-16(22(17)3)15-7-5-4-6-8-15/h4-10,13H,11-12H2,1-3H3
InChIKeyJUUZRXIFDBLBOX-UHFFFAOYSA-N
XLogP3.77
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.46
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 56738833
2-(2-ethoxyethyl)-N,5-dimethyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]pyrazole-3-carboxamide
CID 70748032
N-methyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-1-propan-2-ylpyrazole-3-carboxamide
CID 119068240
N-methyl-3-(2-methyl-1H-imidazol-5-yl)-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]benzamide
CID 118781736
2-(4-fluorophenyl)-N,5-dimethyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-1H-imidazole-4-carboxamide
CID 146038181
(2R)-2-[methyl-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]amino]-2-phenylacetic acid
CID 97210749
N-methyl-4-(6-methylpyridazin-3-yl)-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]benzamide
CID 119067344
1-methyl-3-[(1R)-1-(2-methylpyrazol-3-yl)propyl]-1-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]urea
CID 125443629
N-methyl-2-(4-methyl-1,3-thiazol-5-yl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]ethanamine
CID 134709892
N-methyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-3-(pyridin-2-ylmethyl)imidazo[4,5-b]pyridine-6-carboxamide
CID 176502332
2-amino-N,4-dimethyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-1,3-benzothiazole-6-carboxamide
CID 56910295
(2S)-2-(3,5-dimethylpyrazol-1-yl)-N-methyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]propanamide
CID 95202696

Frequently Asked Questions

What is the IUPAC name of N,1-dimethyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-5-phenylpyrrole-2-carboxamide?
The IUPAC name of N,1-dimethyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-5-phenylpyrrole-2-carboxamide (CID 70748986) is N,1-dimethyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-5-phenylpyrrole-2-carboxamide.
What is the SMILES notation for N,1-dimethyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-5-phenylpyrrole-2-carboxamide?
The canonical SMILES for N,1-dimethyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-5-phenylpyrrole-2-carboxamide is Cc1ncsc1CCN(C)C(=O)c1ccc(-c2ccccc2)n1C.
What is the InChIKey of N,1-dimethyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-5-phenylpyrrole-2-carboxamide?
The InChIKey is JUUZRXIFDBLBOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3OS/c1-14-18(24-13-20-14)11-12-21(2)19(23)17-10-9-16(22(17)3)15-7-5-4-6-8-15/h4-10,13H,11-12H2,1-3H3.
What are the key properties of N,1-dimethyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-5-phenylpyrrole-2-carboxamide?
N,1-dimethyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-5-phenylpyrrole-2-carboxamide has a molecular weight of 339.46 g/mol, XLogP of 3.77, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,1-dimethyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-5-phenylpyrrole-2-carboxamide is sourced from PubChem (CID 70748986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).