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

C17H20N4S — CID 97009303

IUPAC(1R)-1-[4-(2-methylimidazol-1-yl)phenyl]-N-[(2-methyl-1,3-thiazol-4-yl)methyl]ethanamine
SMILESCc1nc(CN[C@H](C)c2ccc(-n3ccnc3C)cc2)cs1
InChIInChI=1S/C17H20N4S/c1-12(19-10-16-11-22-14(3)20-16)15-4-6-17(7-5-15)21-9-8-18-13(21)2/h4-9,11-12,19H,10H2,1-3H3/t12-/m1/s1
InChIKeyNARBDNNZSXHPIJ-GFCCVEGCSA-N
MW312.44 g/mol
LogP3.80
Rot. Bonds5

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

(1R)-1-[4-(2-methylimidazol-1-yl)phenyl]-N-[(2-methyl-1,3-thiazol-4-yl)methyl]ethanamine (PubChem CID 97009303) 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-[(2-methyl-1,3-thiazol-4-yl)methyl]ethanamine.

Molecular Properties

Compound Name(1R)-1-[4-(2-methylimidazol-1-yl)phenyl]-N-[(2-methyl-1,3-thiazol-4-yl)methyl]ethanamine
PubChem CID97009303
Molecular FormulaC17H20N4S
Molecular Weight312.44 g/mol
Exact Mass312.14
IUPAC Name(1R)-1-[4-(2-methylimidazol-1-yl)phenyl]-N-[(2-methyl-1,3-thiazol-4-yl)methyl]ethanamine
SMILESCc1nc(CN[C@H](C)c2ccc(-n3ccnc3C)cc2)cs1
InChIInChI=1S/C17H20N4S/c1-12(19-10-16-11-22-14(3)20-16)15-4-6-17(7-5-15)21-9-8-18-13(21)2/h4-9,11-12,19H,10H2,1-3H3/t12-/m1/s1
InChIKeyNARBDNNZSXHPIJ-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-[(2-methyl-1,3-thiazol-4-yl)methyl]ethanamine with MolForge

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Related Compounds

(1R)-1-[4-(2-methylimidazol-1-yl)phenyl]-N-[(4-methyl-1,3-thiazol-5-yl)methyl]ethanamine
CID 97048241
(1R)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-pyridin-4-ylethanamine
CID 28781245
N-[(4-cyclopropyl-1,3-thiazol-2-yl)methyl]-1-[4-(2-methylimidazol-1-yl)phenyl]ethanamine
CID 75515414
7,9-dichloro-6-methyl-2-[[1-[4-(2-methylimidazol-1-yl)phenyl]ethylamino]methyl]pyrido[1,2-a]pyrimidin-4-one
CID 167850812
6-ethyl-2-methyl-N-[1-[4-(2-methylimidazol-1-yl)phenyl]ethyl]pyrimidin-4-amine
CID 133461751
1-(3-chlorophenyl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]ethanamine
CID 43183544
2-(2-methylimidazol-1-yl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyridin-3-amine
CID 60942995
(1R)-N-[[(2S)-1,1-dioxothiolan-2-yl]methyl]-1-[4-(2-methylimidazol-1-yl)phenyl]ethanamine
CID 97103592
N-methyl-1-[2-(2-methylimidazol-1-yl)-1,3-thiazol-4-yl]methanamine
CID 130632485
1-(4-iodophenyl)-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]ethanamine
CID 103777228
N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-[3-(tetrazol-1-yl)phenyl]ethanamine
CID 61281098
N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-(2,4,5-trimethylphenyl)ethanamine
CID 61281296

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[4-(2-methylimidazol-1-yl)phenyl]-N-[(2-methyl-1,3-thiazol-4-yl)methyl]ethanamine?
The IUPAC name of (1R)-1-[4-(2-methylimidazol-1-yl)phenyl]-N-[(2-methyl-1,3-thiazol-4-yl)methyl]ethanamine (CID 97009303) is (1R)-1-[4-(2-methylimidazol-1-yl)phenyl]-N-[(2-methyl-1,3-thiazol-4-yl)methyl]ethanamine.
What is the SMILES notation for (1R)-1-[4-(2-methylimidazol-1-yl)phenyl]-N-[(2-methyl-1,3-thiazol-4-yl)methyl]ethanamine?
The canonical SMILES for (1R)-1-[4-(2-methylimidazol-1-yl)phenyl]-N-[(2-methyl-1,3-thiazol-4-yl)methyl]ethanamine is Cc1nc(CN[C@H](C)c2ccc(-n3ccnc3C)cc2)cs1.
What is the InChIKey of (1R)-1-[4-(2-methylimidazol-1-yl)phenyl]-N-[(2-methyl-1,3-thiazol-4-yl)methyl]ethanamine?
The InChIKey is NARBDNNZSXHPIJ-GFCCVEGCSA-N. The full InChI is InChI=1S/C17H20N4S/c1-12(19-10-16-11-22-14(3)20-16)15-4-6-17(7-5-15)21-9-8-18-13(21)2/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-[(2-methyl-1,3-thiazol-4-yl)methyl]ethanamine?
(1R)-1-[4-(2-methylimidazol-1-yl)phenyl]-N-[(2-methyl-1,3-thiazol-4-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-[(2-methyl-1,3-thiazol-4-yl)methyl]ethanamine is sourced from PubChem (CID 97009303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).