N-(3-methyl-1,3-thiazol-2-ylidene)-4-(pyrrolidin-1-ylmethyl)benzamide

C16H19N3OS — CID 71899527

IUPACN-(3-methyl-1,3-thiazol-2-ylidene)-4-(pyrrolidin-1-ylmethyl)benzamide
SMILESCn1ccs/c1=N\C(=O)c1ccc(CN2CCCC2)cc1
InChIInChI=1S/C16H19N3OS/c1-18-10-11-21-16(18)17-15(20)14-6-4-13(5-7-14)12-19-8-2-3-9-19/h4-7,10-11H,2-3,8-9,12H2,1H3/b17-16-
InChIKeyWYZLTGSPXOJCHA-MSUUIHNZSA-N
MW301.42 g/mol
LogP2.42
Rot. Bonds3

About N-(3-methyl-1,3-thiazol-2-ylidene)-4-(pyrrolidin-1-ylmethyl)benzamide

N-(3-methyl-1,3-thiazol-2-ylidene)-4-(pyrrolidin-1-ylmethyl)benzamide (PubChem CID 71899527) has the molecular formula C16H19N3OS and a molecular weight of 301.42 g/mol. Its IUPAC name is N-(3-methyl-1,3-thiazol-2-ylidene)-4-(pyrrolidin-1-ylmethyl)benzamide.

Molecular Properties

Compound NameN-(3-methyl-1,3-thiazol-2-ylidene)-4-(pyrrolidin-1-ylmethyl)benzamide
PubChem CID71899527
Molecular FormulaC16H19N3OS
Molecular Weight301.42 g/mol
Exact Mass301.12
IUPAC NameN-(3-methyl-1,3-thiazol-2-ylidene)-4-(pyrrolidin-1-ylmethyl)benzamide
SMILESCn1ccs/c1=N\C(=O)c1ccc(CN2CCCC2)cc1
InChIInChI=1S/C16H19N3OS/c1-18-10-11-21-16(18)17-15(20)14-6-4-13(5-7-14)12-19-8-2-3-9-19/h4-7,10-11H,2-3,8-9,12H2,1H3/b17-16-
InChIKeyWYZLTGSPXOJCHA-MSUUIHNZSA-N
XLogP2.42
TPSA37.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.42
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-ethyl-N-(3-methyl-1,3-thiazol-2-ylidene)benzamide
CID 38163110
N-(3-methyl-1,3-thiazol-2-ylidene)-1-oxidopyridin-1-ium-4-carboxamide
CID 38163154
4-(piperidin-1-ylmethyl)benzoyl azide
CID 141453414
4-[[2-(1-methyltetrazol-5-yl)sulfanylacetyl]amino]-N-(3-methyl-1,3-thiazol-2-ylidene)benzamide
CID 24660493
4-(2,5-dioxopyrrolidin-1-yl)-N-[3-[(4-methylphenyl)methyl]-1,3-thiazol-2-ylidene]benzamide
CID 16546204
N-(3-methyl-1,3-thiazol-2-ylidene)-2-piperidin-1-ylsulfonylbenzamide
CID 31289951
3-(dimethylamino)-N-(3-methyl-1,3-thiazol-2-ylidene)benzamide
CID 31289913
2,2-dimethyl-1-[4-(piperidin-1-ylmethyl)phenyl]propan-1-one
CID 158551228
methyl 4-(azocan-1-ylmethyl)benzoate
CID 28829596
ethane;4-[(4-methylpiperazin-1-yl)methyl]benzoic acid
CID 143662062
(4-fluorophenyl)-[4-(pyrrolidin-1-ylmethyl)phenyl]methanone
CID 24724346
ethane;1-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]ethanone
CID 142962243

Frequently Asked Questions

What is the IUPAC name of N-(3-methyl-1,3-thiazol-2-ylidene)-4-(pyrrolidin-1-ylmethyl)benzamide?
The IUPAC name of N-(3-methyl-1,3-thiazol-2-ylidene)-4-(pyrrolidin-1-ylmethyl)benzamide (CID 71899527) is N-(3-methyl-1,3-thiazol-2-ylidene)-4-(pyrrolidin-1-ylmethyl)benzamide.
What is the SMILES notation for N-(3-methyl-1,3-thiazol-2-ylidene)-4-(pyrrolidin-1-ylmethyl)benzamide?
The canonical SMILES for N-(3-methyl-1,3-thiazol-2-ylidene)-4-(pyrrolidin-1-ylmethyl)benzamide is Cn1ccs/c1=N\C(=O)c1ccc(CN2CCCC2)cc1.
What is the InChIKey of N-(3-methyl-1,3-thiazol-2-ylidene)-4-(pyrrolidin-1-ylmethyl)benzamide?
The InChIKey is WYZLTGSPXOJCHA-MSUUIHNZSA-N. The full InChI is InChI=1S/C16H19N3OS/c1-18-10-11-21-16(18)17-15(20)14-6-4-13(5-7-14)12-19-8-2-3-9-19/h4-7,10-11H,2-3,8-9,12H2,1H3/b17-16-.
What are the key properties of N-(3-methyl-1,3-thiazol-2-ylidene)-4-(pyrrolidin-1-ylmethyl)benzamide?
N-(3-methyl-1,3-thiazol-2-ylidene)-4-(pyrrolidin-1-ylmethyl)benzamide has a molecular weight of 301.42 g/mol, XLogP of 2.42, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methyl-1,3-thiazol-2-ylidene)-4-(pyrrolidin-1-ylmethyl)benzamide is sourced from PubChem (CID 71899527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).