1-(2-pyrrolidin-1-ylphenyl)-N-(1,3-thiazol-5-ylmethyl)methanamine

C15H19N3S — CID 115732323

IUPAC1-(2-pyrrolidin-1-ylphenyl)-N-(1,3-thiazol-5-ylmethyl)methanamine
SMILESc1ccc(N2CCCC2)c(CNCc2cncs2)c1
InChIInChI=1S/C15H19N3S/c1-2-6-15(18-7-3-4-8-18)13(5-1)9-16-10-14-11-17-12-19-14/h1-2,5-6,11-12,16H,3-4,7-10H2
InChIKeyKTVDGWAIHNXNMO-UHFFFAOYSA-N
MW273.40 g/mol
LogP3.03
Rot. Bonds5

About 1-(2-pyrrolidin-1-ylphenyl)-N-(1,3-thiazol-5-ylmethyl)methanamine

1-(2-pyrrolidin-1-ylphenyl)-N-(1,3-thiazol-5-ylmethyl)methanamine (PubChem CID 115732323) has the molecular formula C15H19N3S and a molecular weight of 273.40 g/mol. Its IUPAC name is 1-(2-pyrrolidin-1-ylphenyl)-N-(1,3-thiazol-5-ylmethyl)methanamine.

Molecular Properties

Compound Name1-(2-pyrrolidin-1-ylphenyl)-N-(1,3-thiazol-5-ylmethyl)methanamine
PubChem CID115732323
Molecular FormulaC15H19N3S
Molecular Weight273.40 g/mol
Exact Mass273.13
IUPAC Name1-(2-pyrrolidin-1-ylphenyl)-N-(1,3-thiazol-5-ylmethyl)methanamine
SMILESc1ccc(N2CCCC2)c(CNCc2cncs2)c1
InChIInChI=1S/C15H19N3S/c1-2-6-15(18-7-3-4-8-18)13(5-1)9-16-10-14-11-17-12-19-14/h1-2,5-6,11-12,16H,3-4,7-10H2
InChIKeyKTVDGWAIHNXNMO-UHFFFAOYSA-N
XLogP3.03
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.40
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2-Phenyl-1,3-thiazol-5-yl)methanamine
CID 595758
3-methyl-2-[(E)-(1-methylquinolin-4-ylidene)methyl]-1,3-thiazol-3-ium iodide
CID 155514820
4-[(2-Chloro-1,3-thiazol-5-yl)methyl]-2-methyl-1-(3-methylphenyl)piperazine
CID 3744935
4-(1,3-Thiazol-5-yl)aniline
CID 11298271
Benzyl[(1,3-thiazol-5-yl)methyl]amine
CID 21710584
1-(4-fluorophenyl)-N-methyl-N-(1,3-thiazol-5-ylmethyl)methanamine
CID 134795490
N-methyl-N-(2-methylphenyl)-1-(1,3-thiazol-5-ylmethyl)azetidin-3-amine
CID 134793914
2-[2-(1,3-Thiazol-2-yl)ethynyl]aniline
CID 85775418
1,4-Diamino-2-(thiazol-2-yl)benzene
CID 12011831
2-[4-(Diethylamino)-styryl] thiazole
CID 129693862
2-pyrrolidin-1-yl-N-[2-(trifluoromethyl)phenyl]-1,3-thiazole-5-carbothioamide
CID 2100715
5-[[(2S)-2-methyl-2,3-dihydroindol-1-yl]methyl]-2-phenyl-1,3-thiazole
CID 2443682

Frequently Asked Questions

What is the IUPAC name of 1-(2-pyrrolidin-1-ylphenyl)-N-(1,3-thiazol-5-ylmethyl)methanamine?
The IUPAC name of 1-(2-pyrrolidin-1-ylphenyl)-N-(1,3-thiazol-5-ylmethyl)methanamine (CID 115732323) is 1-(2-pyrrolidin-1-ylphenyl)-N-(1,3-thiazol-5-ylmethyl)methanamine.
What is the SMILES notation for 1-(2-pyrrolidin-1-ylphenyl)-N-(1,3-thiazol-5-ylmethyl)methanamine?
The canonical SMILES for 1-(2-pyrrolidin-1-ylphenyl)-N-(1,3-thiazol-5-ylmethyl)methanamine is c1ccc(N2CCCC2)c(CNCc2cncs2)c1.
What is the InChIKey of 1-(2-pyrrolidin-1-ylphenyl)-N-(1,3-thiazol-5-ylmethyl)methanamine?
The InChIKey is KTVDGWAIHNXNMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3S/c1-2-6-15(18-7-3-4-8-18)13(5-1)9-16-10-14-11-17-12-19-14/h1-2,5-6,11-12,16H,3-4,7-10H2.
What are the key properties of 1-(2-pyrrolidin-1-ylphenyl)-N-(1,3-thiazol-5-ylmethyl)methanamine?
1-(2-pyrrolidin-1-ylphenyl)-N-(1,3-thiazol-5-ylmethyl)methanamine has a molecular weight of 273.40 g/mol, XLogP of 3.03, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-pyrrolidin-1-ylphenyl)-N-(1,3-thiazol-5-ylmethyl)methanamine is sourced from PubChem (CID 115732323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).