N-(3-aminobutyl)-3-(2-methyl-1,3-thiazol-4-yl)benzamide

C15H19N3OS — CID 119498471

IUPACN-(3-aminobutyl)-3-(2-methyl-1,3-thiazol-4-yl)benzamide
SMILESCc1nc(-c2cccc(C(=O)NCCC(C)N)c2)cs1
InChIInChI=1S/C15H19N3OS/c1-10(16)6-7-17-15(19)13-5-3-4-12(8-13)14-9-20-11(2)18-14/h3-5,8-10H,6-7,16H2,1-2H3,(H,17,19)
InChIKeyHERJLDJUFNXYHD-UHFFFAOYSA-N
MW289.40 g/mol
LogP2.59
Rot. Bonds5

About N-(3-aminobutyl)-3-(2-methyl-1,3-thiazol-4-yl)benzamide

N-(3-aminobutyl)-3-(2-methyl-1,3-thiazol-4-yl)benzamide (PubChem CID 119498471) has the molecular formula C15H19N3OS and a molecular weight of 289.40 g/mol. Its IUPAC name is N-(3-aminobutyl)-3-(2-methyl-1,3-thiazol-4-yl)benzamide.

Molecular Properties

Compound NameN-(3-aminobutyl)-3-(2-methyl-1,3-thiazol-4-yl)benzamide
PubChem CID119498471
Molecular FormulaC15H19N3OS
Molecular Weight289.40 g/mol
Exact Mass289.12
IUPAC NameN-(3-aminobutyl)-3-(2-methyl-1,3-thiazol-4-yl)benzamide
SMILESCc1nc(-c2cccc(C(=O)NCCC(C)N)c2)cs1
InChIInChI=1S/C15H19N3OS/c1-10(16)6-7-17-15(19)13-5-3-4-12(8-13)14-9-20-11(2)18-14/h3-5,8-10H,6-7,16H2,1-2H3,(H,17,19)
InChIKeyHERJLDJUFNXYHD-UHFFFAOYSA-N
XLogP2.59
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.40
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2R)-2-(ethylamino)propyl]-3-(2-methyl-1,3-thiazol-4-yl)benzamide;dihydrochloride
CID 120652084
N-methyl-3-(2-methyl-1,3-thiazol-4-yl)benzamide
CID 70899033
3-N-(3-aminobutyl)-1-N-propylbenzene-1,3-dicarboxamide;hydrochloride
CID 119495246
N-[(2R)-1-methoxypropan-2-yl]sulfonyl-3-(2-methyl-1,3-thiazol-4-yl)benzamide
CID 99812786
3-amino-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]butanamide
CID 54924319
N-(1-hydroxypropan-2-yl)-N-methyl-3-(2-methyl-1,3-thiazol-4-yl)benzamide
CID 109388507
N-[(2-hydroxycyclopentyl)methyl]-3-(2-methyl-1,3-thiazol-4-yl)benzamide
CID 111471390
3-N-(3-aminobutyl)benzene-1,3-dicarboxamide;hydrochloride
CID 119498174
N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]benzamide
CID 766934
ethyl N-[3-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethylcarbamoyl]phenyl]carbamate
CID 24552952
N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]benzamide;hydrochloride
CID 52984164
N-(3-aminobutyl)-2-(3-chlorophenyl)-1,3-thiazole-4-carboxamide
CID 119496862

Frequently Asked Questions

What is the IUPAC name of N-(3-aminobutyl)-3-(2-methyl-1,3-thiazol-4-yl)benzamide?
The IUPAC name of N-(3-aminobutyl)-3-(2-methyl-1,3-thiazol-4-yl)benzamide (CID 119498471) is N-(3-aminobutyl)-3-(2-methyl-1,3-thiazol-4-yl)benzamide.
What is the SMILES notation for N-(3-aminobutyl)-3-(2-methyl-1,3-thiazol-4-yl)benzamide?
The canonical SMILES for N-(3-aminobutyl)-3-(2-methyl-1,3-thiazol-4-yl)benzamide is Cc1nc(-c2cccc(C(=O)NCCC(C)N)c2)cs1.
What is the InChIKey of N-(3-aminobutyl)-3-(2-methyl-1,3-thiazol-4-yl)benzamide?
The InChIKey is HERJLDJUFNXYHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3OS/c1-10(16)6-7-17-15(19)13-5-3-4-12(8-13)14-9-20-11(2)18-14/h3-5,8-10H,6-7,16H2,1-2H3,(H,17,19).
What are the key properties of N-(3-aminobutyl)-3-(2-methyl-1,3-thiazol-4-yl)benzamide?
N-(3-aminobutyl)-3-(2-methyl-1,3-thiazol-4-yl)benzamide has a molecular weight of 289.40 g/mol, XLogP of 2.59, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminobutyl)-3-(2-methyl-1,3-thiazol-4-yl)benzamide is sourced from PubChem (CID 119498471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).