5-[[[(1R)-1-[1-(4-methoxyphenyl)-5-methylpyrazol-4-yl]ethyl]amino]methyl]-N,N-dimethyl-1,3-thiazol-2-amine

C19H25N5OS — CID 42119173

IUPAC5-[[[(1R)-1-[1-(4-methoxyphenyl)-5-methylpyrazol-4-yl]ethyl]amino]methyl]-N,N-dimethyl-1,3-thiazol-2-amine
SMILESCOc1ccc(-n2ncc([C@@H](C)NCc3cnc(N(C)C)s3)c2C)cc1
InChIInChI=1S/C19H25N5OS/c1-13(20-10-17-11-21-19(26-17)23(3)4)18-12-22-24(14(18)2)15-6-8-16(25-5)9-7-15/h6-9,11-13,20H,10H2,1-5H3/t13-/m1/s1
InChIKeyTYTJQGUULKSKAO-CYBMUJFWSA-N
MW371.51 g/mol
LogP3.56
Rot. Bonds7

About 5-[[[(1R)-1-[1-(4-methoxyphenyl)-5-methylpyrazol-4-yl]ethyl]amino]methyl]-N,N-dimethyl-1,3-thiazol-2-amine

5-[[[(1R)-1-[1-(4-methoxyphenyl)-5-methylpyrazol-4-yl]ethyl]amino]methyl]-N,N-dimethyl-1,3-thiazol-2-amine (PubChem CID 42119173) has the molecular formula C19H25N5OS and a molecular weight of 371.51 g/mol. Its IUPAC name is 5-[[[(1R)-1-[1-(4-methoxyphenyl)-5-methylpyrazol-4-yl]ethyl]amino]methyl]-N,N-dimethyl-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-[[[(1R)-1-[1-(4-methoxyphenyl)-5-methylpyrazol-4-yl]ethyl]amino]methyl]-N,N-dimethyl-1,3-thiazol-2-amine
PubChem CID42119173
Molecular FormulaC19H25N5OS
Molecular Weight371.51 g/mol
Exact Mass371.18
IUPAC Name5-[[[(1R)-1-[1-(4-methoxyphenyl)-5-methylpyrazol-4-yl]ethyl]amino]methyl]-N,N-dimethyl-1,3-thiazol-2-amine
SMILESCOc1ccc(-n2ncc([C@@H](C)NCc3cnc(N(C)C)s3)c2C)cc1
InChIInChI=1S/C19H25N5OS/c1-13(20-10-17-11-21-19(26-17)23(3)4)18-12-22-24(14(18)2)15-6-8-16(25-5)9-7-15/h6-9,11-13,20H,10H2,1-5H3/t13-/m1/s1
InChIKeyTYTJQGUULKSKAO-CYBMUJFWSA-N
XLogP3.56
TPSA55.21 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.51
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 5-[[[(1R)-1-[1-(4-methoxyphenyl)-5-methylpyrazol-4-yl]ethyl]amino]methyl]-N,N-dimethyl-1,3-thiazol-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(1S)-1-[1-(4-methoxyphenyl)-5-methylpyrazol-4-yl]-N-[[2-(trifluoromethyl)phenyl]methyl]ethanamine
CID 25277206
(1S)-N-[[1-(4-chlorophenyl)pyrazol-4-yl]methyl]-1-[1-(4-methoxyphenyl)-5-methylpyrazol-4-yl]ethanamine
CID 42525871
(1R)-N-[[1-(4-chlorophenyl)pyrazol-4-yl]methyl]-1-[1-(4-methoxyphenyl)-5-methylpyrazol-4-yl]ethanamine
CID 42525869
(1R)-N-(1H-indol-2-ylmethyl)-1-[1-(4-methoxyphenyl)-5-methylpyrazol-4-yl]ethanamine
CID 31134134
(1R)-N-[(2,5-dimethoxyphenyl)methyl]-1-(5-methyl-1-phenylpyrazol-4-yl)ethanamine
CID 51902743
1-[1-(4-ethoxyphenyl)-5-methylpyrazol-4-yl]-N-methylethanamine
CID 107958317
1-[1-(4-methoxyphenyl)-5-methylpyrazol-4-yl]ethane-1,2-diamine
CID 170894623
(1S)-1-(5-methyl-1-phenylpyrazol-4-yl)-N-[(4-pyrimidin-2-yloxyphenyl)methyl]ethanamine
CID 42460983
2-(2-hydroxyphenoxy)-N-[(1R)-1-[1-(4-methoxyphenyl)-5-methylpyrazol-4-yl]ethyl]acetamide
CID 97114066
(1S)-1-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]-N-[(2-methyl-1,3-thiazol-4-yl)methyl]ethanamine
CID 95191019
N-[1-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]ethyl]-4-methoxybenzenesulfonamide
CID 42955226
(1S)-1-[1-(3-fluorophenyl)-5-methylpyrazol-4-yl]-N-[(3-methoxyphenyl)methyl]ethanamine
CID 25296947

Frequently Asked Questions

What is the IUPAC name of 5-[[[(1R)-1-[1-(4-methoxyphenyl)-5-methylpyrazol-4-yl]ethyl]amino]methyl]-N,N-dimethyl-1,3-thiazol-2-amine?
The IUPAC name of 5-[[[(1R)-1-[1-(4-methoxyphenyl)-5-methylpyrazol-4-yl]ethyl]amino]methyl]-N,N-dimethyl-1,3-thiazol-2-amine (CID 42119173) is 5-[[[(1R)-1-[1-(4-methoxyphenyl)-5-methylpyrazol-4-yl]ethyl]amino]methyl]-N,N-dimethyl-1,3-thiazol-2-amine.
What is the SMILES notation for 5-[[[(1R)-1-[1-(4-methoxyphenyl)-5-methylpyrazol-4-yl]ethyl]amino]methyl]-N,N-dimethyl-1,3-thiazol-2-amine?
The canonical SMILES for 5-[[[(1R)-1-[1-(4-methoxyphenyl)-5-methylpyrazol-4-yl]ethyl]amino]methyl]-N,N-dimethyl-1,3-thiazol-2-amine is COc1ccc(-n2ncc([C@@H](C)NCc3cnc(N(C)C)s3)c2C)cc1.
What is the InChIKey of 5-[[[(1R)-1-[1-(4-methoxyphenyl)-5-methylpyrazol-4-yl]ethyl]amino]methyl]-N,N-dimethyl-1,3-thiazol-2-amine?
The InChIKey is TYTJQGUULKSKAO-CYBMUJFWSA-N. The full InChI is InChI=1S/C19H25N5OS/c1-13(20-10-17-11-21-19(26-17)23(3)4)18-12-22-24(14(18)2)15-6-8-16(25-5)9-7-15/h6-9,11-13,20H,10H2,1-5H3/t13-/m1/s1.
What are the key properties of 5-[[[(1R)-1-[1-(4-methoxyphenyl)-5-methylpyrazol-4-yl]ethyl]amino]methyl]-N,N-dimethyl-1,3-thiazol-2-amine?
5-[[[(1R)-1-[1-(4-methoxyphenyl)-5-methylpyrazol-4-yl]ethyl]amino]methyl]-N,N-dimethyl-1,3-thiazol-2-amine has a molecular weight of 371.51 g/mol, XLogP of 3.56, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[[(1R)-1-[1-(4-methoxyphenyl)-5-methylpyrazol-4-yl]ethyl]amino]methyl]-N,N-dimethyl-1,3-thiazol-2-amine is sourced from PubChem (CID 42119173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).