4-methyl-3-[(2-pyrrolidin-1-yl-1,3-thiazol-5-yl)methyl]aniline

C15H19N3S — CID 93202782

IUPAC4-methyl-3-[(2-pyrrolidin-1-yl-1,3-thiazol-5-yl)methyl]aniline
SMILESCc1ccc(N)cc1Cc1cnc(N2CCCC2)s1
InChIInChI=1S/C15H19N3S/c1-11-4-5-13(16)8-12(11)9-14-10-17-15(19-14)18-6-2-3-7-18/h4-5,8,10H,2-3,6-7,9,16H2,1H3
InChIKeyAIRAPFVTVVWQOC-UHFFFAOYSA-N
MW273.40 g/mol
LogP3.22
Rot. Bonds3

About 4-methyl-3-[(2-pyrrolidin-1-yl-1,3-thiazol-5-yl)methyl]aniline

4-methyl-3-[(2-pyrrolidin-1-yl-1,3-thiazol-5-yl)methyl]aniline (PubChem CID 93202782) has the molecular formula C15H19N3S and a molecular weight of 273.40 g/mol. Its IUPAC name is 4-methyl-3-[(2-pyrrolidin-1-yl-1,3-thiazol-5-yl)methyl]aniline.

Molecular Properties

Compound Name4-methyl-3-[(2-pyrrolidin-1-yl-1,3-thiazol-5-yl)methyl]aniline
PubChem CID93202782
Molecular FormulaC15H19N3S
Molecular Weight273.40 g/mol
Exact Mass273.13
IUPAC Name4-methyl-3-[(2-pyrrolidin-1-yl-1,3-thiazol-5-yl)methyl]aniline
SMILESCc1ccc(N)cc1Cc1cnc(N2CCCC2)s1
InChIInChI=1S/C15H19N3S/c1-11-4-5-13(16)8-12(11)9-14-10-17-15(19-14)18-6-2-3-7-18/h4-5,8,10H,2-3,6-7,9,16H2,1H3
InChIKeyAIRAPFVTVVWQOC-UHFFFAOYSA-N
XLogP3.22
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.40
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N,5-Diphenyl-1,3-thiazol-2-amine
CID 619921
1-[5-[3-(Dimethylamino)phenyl]-2-thiazolyl]-4-piperidinecarboxamide
CID 46907664
1-[5-(3-Pyrrolidin-1-ylphenyl)-1,3-thiazol-2-yl]piperidine-4-carboxamide
CID 46907702
N-(2',6-Dimethyl[1,1'-Biphenyl]-3-Yl)-1,3-Thiazol-2-Amine
CID 119057482
5-bromo-N-(4-methylphenyl)-1,3-thiazol-2-amine
CID 16068431
5-bromo-N-(3-methylphenyl)-1,3-thiazol-2-amine
CID 16068734
N-[5-[2-[4-(diaminomethylideneamino)phenyl]ethyl]-1,3-thiazol-2-yl]acetamide;hydrochloride
CID 21914901
N-benzyl-N,5-diphenyl-1,3-thiazol-2-amine
CID 54581035
Guanidine, N-(1,1-dimethylethyl)-N'-2-naphthalenyl-N''-2-thiazolyl-
CID 3055124
2-[4-(Dimethylamino)phenyl]-3-(5-methyl-1,3-thiazol-2-yl)-1,3-thiazolidin-4-one
CID 16004650
N-benzyl-5-(2-methylphenyl)-N-phenyl-1,3-thiazol-2-amine
CID 54584976
N-benzyl-5-(4-methylphenyl)-N-phenyl-1,3-thiazol-2-amine
CID 54584977

Frequently Asked Questions

What is the IUPAC name of 4-methyl-3-[(2-pyrrolidin-1-yl-1,3-thiazol-5-yl)methyl]aniline?
The IUPAC name of 4-methyl-3-[(2-pyrrolidin-1-yl-1,3-thiazol-5-yl)methyl]aniline (CID 93202782) is 4-methyl-3-[(2-pyrrolidin-1-yl-1,3-thiazol-5-yl)methyl]aniline.
What is the SMILES notation for 4-methyl-3-[(2-pyrrolidin-1-yl-1,3-thiazol-5-yl)methyl]aniline?
The canonical SMILES for 4-methyl-3-[(2-pyrrolidin-1-yl-1,3-thiazol-5-yl)methyl]aniline is Cc1ccc(N)cc1Cc1cnc(N2CCCC2)s1.
What is the InChIKey of 4-methyl-3-[(2-pyrrolidin-1-yl-1,3-thiazol-5-yl)methyl]aniline?
The InChIKey is AIRAPFVTVVWQOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3S/c1-11-4-5-13(16)8-12(11)9-14-10-17-15(19-14)18-6-2-3-7-18/h4-5,8,10H,2-3,6-7,9,16H2,1H3.
What are the key properties of 4-methyl-3-[(2-pyrrolidin-1-yl-1,3-thiazol-5-yl)methyl]aniline?
4-methyl-3-[(2-pyrrolidin-1-yl-1,3-thiazol-5-yl)methyl]aniline has a molecular weight of 273.40 g/mol, XLogP of 3.22, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3-[(2-pyrrolidin-1-yl-1,3-thiazol-5-yl)methyl]aniline is sourced from PubChem (CID 93202782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).