3-methyl-N-[(4-pyrrolidin-1-ylphenyl)methyl]-1,2-thiazole-4-carboxamide

C16H19N3OS — CID 154837608

IUPAC3-methyl-N-[(4-pyrrolidin-1-ylphenyl)methyl]-1,2-thiazole-4-carboxamide
SMILESCc1nscc1C(=O)NCc1ccc(N2CCCC2)cc1
InChIInChI=1S/C16H19N3OS/c1-12-15(11-21-18-12)16(20)17-10-13-4-6-14(7-5-13)19-8-2-3-9-19/h4-7,11H,2-3,8-10H2,1H3,(H,17,20)
InChIKeyRXNUNDWWEBHLGZ-UHFFFAOYSA-N
MW301.42 g/mol
LogP2.98
Rot. Bonds4

About 3-methyl-N-[(4-pyrrolidin-1-ylphenyl)methyl]-1,2-thiazole-4-carboxamide

3-methyl-N-[(4-pyrrolidin-1-ylphenyl)methyl]-1,2-thiazole-4-carboxamide (PubChem CID 154837608) has the molecular formula C16H19N3OS and a molecular weight of 301.42 g/mol. Its IUPAC name is 3-methyl-N-[(4-pyrrolidin-1-ylphenyl)methyl]-1,2-thiazole-4-carboxamide.

Molecular Properties

Compound Name3-methyl-N-[(4-pyrrolidin-1-ylphenyl)methyl]-1,2-thiazole-4-carboxamide
PubChem CID154837608
Molecular FormulaC16H19N3OS
Molecular Weight301.42 g/mol
Exact Mass301.12
IUPAC Name3-methyl-N-[(4-pyrrolidin-1-ylphenyl)methyl]-1,2-thiazole-4-carboxamide
SMILESCc1nscc1C(=O)NCc1ccc(N2CCCC2)cc1
InChIInChI=1S/C16H19N3OS/c1-12-15(11-21-18-12)16(20)17-10-13-4-6-14(7-5-13)19-8-2-3-9-19/h4-7,11H,2-3,8-10H2,1H3,(H,17,20)
InChIKeyRXNUNDWWEBHLGZ-UHFFFAOYSA-N
XLogP2.98
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.42
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

3-methyl-5-(methylamino)-N-[(4-pyrrolidin-1-ylphenyl)methyl]-1,2-thiazole-4-carboxamide
CID 51078992
4-bromo-2-methyl-N-[(4-pyrrolidin-1-ylphenyl)methyl]benzamide
CID 55851395
4-(methoxymethyl)-N-[(4-pyrrolidin-1-ylphenyl)methyl]benzamide
CID 35613985
6-(3-methylphenyl)-2-oxo-N-[(4-pyrrolidin-1-ylphenyl)methyl]-1H-pyridine-3-carboxamide
CID 55850238
2-(4-piperidin-1-ylphenyl)-N-(pyridin-4-ylmethyl)acetamide
CID 110648315
4-[(S)-methylsulfinyl]-N-[(4-pyrrolidin-1-ylphenyl)methyl]benzamide
CID 35616770
4-[(R)-methylsulfinyl]-N-[(4-pyrrolidin-1-ylphenyl)methyl]benzamide
CID 35616767
N-[(3-methylphenyl)methyl]-4-pyrrolidin-1-ylbenzamide
CID 110295113
4-methyl-N-[(4-methylphenyl)methyl]-2-piperidin-1-ylpyrimidine-5-carboxamide
CID 66505324
1-[(4-piperidin-1-ylphenyl)methyl]-3-propan-2-ylurea
CID 47278796
2-cyclobutyl-5-methyl-N-[(4-pyrrolidin-1-ylphenyl)methyl]-1,3-oxazole-4-carboxamide
CID 53195349
N-[(4-methylphenyl)methyl]-5-(4-pyrrolidin-1-ylanilino)pyridine-2-carboxamide
CID 109188702

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[(4-pyrrolidin-1-ylphenyl)methyl]-1,2-thiazole-4-carboxamide?
The IUPAC name of 3-methyl-N-[(4-pyrrolidin-1-ylphenyl)methyl]-1,2-thiazole-4-carboxamide (CID 154837608) is 3-methyl-N-[(4-pyrrolidin-1-ylphenyl)methyl]-1,2-thiazole-4-carboxamide.
What is the SMILES notation for 3-methyl-N-[(4-pyrrolidin-1-ylphenyl)methyl]-1,2-thiazole-4-carboxamide?
The canonical SMILES for 3-methyl-N-[(4-pyrrolidin-1-ylphenyl)methyl]-1,2-thiazole-4-carboxamide is Cc1nscc1C(=O)NCc1ccc(N2CCCC2)cc1.
What is the InChIKey of 3-methyl-N-[(4-pyrrolidin-1-ylphenyl)methyl]-1,2-thiazole-4-carboxamide?
The InChIKey is RXNUNDWWEBHLGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3OS/c1-12-15(11-21-18-12)16(20)17-10-13-4-6-14(7-5-13)19-8-2-3-9-19/h4-7,11H,2-3,8-10H2,1H3,(H,17,20).
What are the key properties of 3-methyl-N-[(4-pyrrolidin-1-ylphenyl)methyl]-1,2-thiazole-4-carboxamide?
3-methyl-N-[(4-pyrrolidin-1-ylphenyl)methyl]-1,2-thiazole-4-carboxamide has a molecular weight of 301.42 g/mol, XLogP of 2.98, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[(4-pyrrolidin-1-ylphenyl)methyl]-1,2-thiazole-4-carboxamide is sourced from PubChem (CID 154837608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).