N-(5-methyl-1,3-thiazol-2-yl)-3-(pyrrolidin-1-ylmethyl)benzamide

C16H19N3OS — CID 52730864

IUPACN-(5-methyl-1,3-thiazol-2-yl)-3-(pyrrolidin-1-ylmethyl)benzamide
SMILESCc1cnc(NC(=O)c2cccc(CN3CCCC3)c2)s1
InChIInChI=1S/C16H19N3OS/c1-12-10-17-16(21-12)18-15(20)14-6-4-5-13(9-14)11-19-7-2-3-8-19/h4-6,9-10H,2-3,7-8,11H2,1H3,(H,17,18,20)
InChIKeyMHLYISNJTIGKRY-UHFFFAOYSA-N
MW301.42 g/mol
LogP3.30
Rot. Bonds4

About N-(5-methyl-1,3-thiazol-2-yl)-3-(pyrrolidin-1-ylmethyl)benzamide

N-(5-methyl-1,3-thiazol-2-yl)-3-(pyrrolidin-1-ylmethyl)benzamide (PubChem CID 52730864) has the molecular formula C16H19N3OS and a molecular weight of 301.42 g/mol. Its IUPAC name is N-(5-methyl-1,3-thiazol-2-yl)-3-(pyrrolidin-1-ylmethyl)benzamide.

Molecular Properties

Compound NameN-(5-methyl-1,3-thiazol-2-yl)-3-(pyrrolidin-1-ylmethyl)benzamide
PubChem CID52730864
Molecular FormulaC16H19N3OS
Molecular Weight301.42 g/mol
Exact Mass301.12
IUPAC NameN-(5-methyl-1,3-thiazol-2-yl)-3-(pyrrolidin-1-ylmethyl)benzamide
SMILESCc1cnc(NC(=O)c2cccc(CN3CCCC3)c2)s1
InChIInChI=1S/C16H19N3OS/c1-12-10-17-16(21-12)18-15(20)14-6-4-5-13(9-14)11-19-7-2-3-8-19/h4-6,9-10H,2-3,7-8,11H2,1H3,(H,17,18,20)
InChIKeyMHLYISNJTIGKRY-UHFFFAOYSA-N
XLogP3.30
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 ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-N-(5-methyl-1,3-thiazol-2-yl)benzamide
CID 35324251
N-(4-methyl-1,3-benzothiazol-2-yl)-3-(pyrrolidin-1-ylmethyl)benzamide
CID 55985259
3-iodo-N-(5-methyl-1,3-thiazol-2-yl)benzamide
CID 2116508
N-(6-amino-3-pyridinyl)-3-(pyrrolidin-1-ylmethyl)benzamide
CID 119516230
N-[3-(methylcarbamoyl)phenyl]-3-(pyrrolidin-1-ylmethyl)benzamide
CID 146121744
3-[[3-(pyrrolidin-1-ylmethyl)benzoyl]amino]benzoic acid
CID 146134371
N-[3-(ethylaminomethyl)phenyl]-3-(pyrrolidin-1-ylmethyl)benzamide;dihydrochloride
CID 119438516
N-(2-methylpyrazolo[1,5-a]pyrimidin-7-yl)-3-(piperidin-1-ylmethyl)benzamide
CID 167852544
3-(pyrrolidin-1-ylmethyl)benzoic acid
CID 16775864
N-(5-methyl-1,3-thiazol-2-yl)-4-[(2-oxopyrrolidin-1-yl)methyl]benzamide
CID 51198051
3-(diethylsulfamoyl)-N-(5-methyl-1,3-thiazol-2-yl)benzamide
CID 2122297
N-[3-(pyrrolidin-1-ylmethyl)phenyl]quinoxaline-6-carboxamide
CID 131906528

Frequently Asked Questions

What is the IUPAC name of N-(5-methyl-1,3-thiazol-2-yl)-3-(pyrrolidin-1-ylmethyl)benzamide?
The IUPAC name of N-(5-methyl-1,3-thiazol-2-yl)-3-(pyrrolidin-1-ylmethyl)benzamide (CID 52730864) is N-(5-methyl-1,3-thiazol-2-yl)-3-(pyrrolidin-1-ylmethyl)benzamide.
What is the SMILES notation for N-(5-methyl-1,3-thiazol-2-yl)-3-(pyrrolidin-1-ylmethyl)benzamide?
The canonical SMILES for N-(5-methyl-1,3-thiazol-2-yl)-3-(pyrrolidin-1-ylmethyl)benzamide is Cc1cnc(NC(=O)c2cccc(CN3CCCC3)c2)s1.
What is the InChIKey of N-(5-methyl-1,3-thiazol-2-yl)-3-(pyrrolidin-1-ylmethyl)benzamide?
The InChIKey is MHLYISNJTIGKRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3OS/c1-12-10-17-16(21-12)18-15(20)14-6-4-5-13(9-14)11-19-7-2-3-8-19/h4-6,9-10H,2-3,7-8,11H2,1H3,(H,17,18,20).
What are the key properties of N-(5-methyl-1,3-thiazol-2-yl)-3-(pyrrolidin-1-ylmethyl)benzamide?
N-(5-methyl-1,3-thiazol-2-yl)-3-(pyrrolidin-1-ylmethyl)benzamide has a molecular weight of 301.42 g/mol, XLogP of 3.30, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methyl-1,3-thiazol-2-yl)-3-(pyrrolidin-1-ylmethyl)benzamide is sourced from PubChem (CID 52730864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).