(1R)-1-[4-(2-methylimidazol-1-yl)phenyl]-N-[(4-methyl-1,3-thiazol-5-yl)methyl]ethanamine

C17H20N4S — CID 97048241

IUPAC(1R)-1-[4-(2-methylimidazol-1-yl)phenyl]-N-[(4-methyl-1,3-thiazol-5-yl)methyl]ethanamine
SMILESCc1ncsc1CN[C@H](C)c1ccc(-n2ccnc2C)cc1
InChIInChI=1S/C17H20N4S/c1-12(19-10-17-13(2)20-11-22-17)15-4-6-16(7-5-15)21-9-8-18-14(21)3/h4-9,11-12,19H,10H2,1-3H3/t12-/m1/s1
InChIKeyAJRCGFDIHPXMEF-GFCCVEGCSA-N
MW312.44 g/mol
LogP3.80
Rot. Bonds5

About (1R)-1-[4-(2-methylimidazol-1-yl)phenyl]-N-[(4-methyl-1,3-thiazol-5-yl)methyl]ethanamine

(1R)-1-[4-(2-methylimidazol-1-yl)phenyl]-N-[(4-methyl-1,3-thiazol-5-yl)methyl]ethanamine (PubChem CID 97048241) has the molecular formula C17H20N4S and a molecular weight of 312.44 g/mol. Its IUPAC name is (1R)-1-[4-(2-methylimidazol-1-yl)phenyl]-N-[(4-methyl-1,3-thiazol-5-yl)methyl]ethanamine.

Molecular Properties

Compound Name(1R)-1-[4-(2-methylimidazol-1-yl)phenyl]-N-[(4-methyl-1,3-thiazol-5-yl)methyl]ethanamine
PubChem CID97048241
Molecular FormulaC17H20N4S
Molecular Weight312.44 g/mol
Exact Mass312.14
IUPAC Name(1R)-1-[4-(2-methylimidazol-1-yl)phenyl]-N-[(4-methyl-1,3-thiazol-5-yl)methyl]ethanamine
SMILESCc1ncsc1CN[C@H](C)c1ccc(-n2ccnc2C)cc1
InChIInChI=1S/C17H20N4S/c1-12(19-10-17-13(2)20-11-22-17)15-4-6-16(7-5-15)21-9-8-18-14(21)3/h4-9,11-12,19H,10H2,1-3H3/t12-/m1/s1
InChIKeyAJRCGFDIHPXMEF-GFCCVEGCSA-N
XLogP3.80
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.44
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (1R)-1-[4-(2-methylimidazol-1-yl)phenyl]-N-[(4-methyl-1,3-thiazol-5-yl)methyl]ethanamine with MolForge

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Related Compounds

(1R)-1-[4-(2-methylimidazol-1-yl)phenyl]-N-[(2-methyl-1,3-thiazol-4-yl)methyl]ethanamine
CID 97009303
(1S)-1-(4-methoxyphenyl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]ethanamine
CID 81371084
N-[(4-cyclopropyl-1,3-thiazol-2-yl)methyl]-1-[4-(2-methylimidazol-1-yl)phenyl]ethanamine
CID 75515414
1-(3-chlorophenyl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]ethanamine
CID 55170713
6-ethyl-2-methyl-N-[1-[4-(2-methylimidazol-1-yl)phenyl]ethyl]pyrimidin-4-amine
CID 133461751
N-[(4-methyl-1,3-thiazol-5-yl)methyl]-1-pyridin-2-ylethanamine
CID 63280230
(1R)-N-[[(2S)-1,1-dioxothiolan-2-yl]methyl]-1-[4-(2-methylimidazol-1-yl)phenyl]ethanamine
CID 97103592
(1S)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-1-thiophen-2-ylethanamine
CID 81398219
(1R)-1-[4-(2-methylimidazol-1-yl)phenyl]ethanol
CID 78941239
1-(3-bromo-4-methoxyphenyl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]ethanamine
CID 63280036
1-(3-fluoro-4-methoxyphenyl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]ethanamine
CID 63279811
(1S)-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-1-pyridin-4-ylethanamine
CID 81406260

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[4-(2-methylimidazol-1-yl)phenyl]-N-[(4-methyl-1,3-thiazol-5-yl)methyl]ethanamine?
The IUPAC name of (1R)-1-[4-(2-methylimidazol-1-yl)phenyl]-N-[(4-methyl-1,3-thiazol-5-yl)methyl]ethanamine (CID 97048241) is (1R)-1-[4-(2-methylimidazol-1-yl)phenyl]-N-[(4-methyl-1,3-thiazol-5-yl)methyl]ethanamine.
What is the SMILES notation for (1R)-1-[4-(2-methylimidazol-1-yl)phenyl]-N-[(4-methyl-1,3-thiazol-5-yl)methyl]ethanamine?
The canonical SMILES for (1R)-1-[4-(2-methylimidazol-1-yl)phenyl]-N-[(4-methyl-1,3-thiazol-5-yl)methyl]ethanamine is Cc1ncsc1CN[C@H](C)c1ccc(-n2ccnc2C)cc1.
What is the InChIKey of (1R)-1-[4-(2-methylimidazol-1-yl)phenyl]-N-[(4-methyl-1,3-thiazol-5-yl)methyl]ethanamine?
The InChIKey is AJRCGFDIHPXMEF-GFCCVEGCSA-N. The full InChI is InChI=1S/C17H20N4S/c1-12(19-10-17-13(2)20-11-22-17)15-4-6-16(7-5-15)21-9-8-18-14(21)3/h4-9,11-12,19H,10H2,1-3H3/t12-/m1/s1.
What are the key properties of (1R)-1-[4-(2-methylimidazol-1-yl)phenyl]-N-[(4-methyl-1,3-thiazol-5-yl)methyl]ethanamine?
(1R)-1-[4-(2-methylimidazol-1-yl)phenyl]-N-[(4-methyl-1,3-thiazol-5-yl)methyl]ethanamine has a molecular weight of 312.44 g/mol, XLogP of 3.80, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[4-(2-methylimidazol-1-yl)phenyl]-N-[(4-methyl-1,3-thiazol-5-yl)methyl]ethanamine is sourced from PubChem (CID 97048241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).