(1R)-N-(2-imidazol-1-ylethyl)-1-(4-methyl-1,3-thiazol-2-yl)propan-1-amine

C12H18N4S — CID 97353367

IUPAC(1R)-N-(2-imidazol-1-ylethyl)-1-(4-methyl-1,3-thiazol-2-yl)propan-1-amine
SMILESCC[C@@H](NCCn1ccnc1)c1nc(C)cs1
InChIInChI=1S/C12H18N4S/c1-3-11(12-15-10(2)8-17-12)14-5-7-16-6-4-13-9-16/h4,6,8-9,11,14H,3,5,7H2,1-2H3/t11-/m1/s1
InChIKeyYWTIFSGKPXCVEN-LLVKDONJSA-N
MW250.37 g/mol
LogP2.39
Rot. Bonds6

About (1R)-N-(2-imidazol-1-ylethyl)-1-(4-methyl-1,3-thiazol-2-yl)propan-1-amine

(1R)-N-(2-imidazol-1-ylethyl)-1-(4-methyl-1,3-thiazol-2-yl)propan-1-amine (PubChem CID 97353367) has the molecular formula C12H18N4S and a molecular weight of 250.37 g/mol. Its IUPAC name is (1R)-N-(2-imidazol-1-ylethyl)-1-(4-methyl-1,3-thiazol-2-yl)propan-1-amine.

Molecular Properties

Compound Name(1R)-N-(2-imidazol-1-ylethyl)-1-(4-methyl-1,3-thiazol-2-yl)propan-1-amine
PubChem CID97353367
Molecular FormulaC12H18N4S
Molecular Weight250.37 g/mol
Exact Mass250.13
IUPAC Name(1R)-N-(2-imidazol-1-ylethyl)-1-(4-methyl-1,3-thiazol-2-yl)propan-1-amine
SMILESCC[C@@H](NCCn1ccnc1)c1nc(C)cs1
InChIInChI=1S/C12H18N4S/c1-3-11(12-15-10(2)8-17-12)14-5-7-16-6-4-13-9-16/h4,6,8-9,11,14H,3,5,7H2,1-2H3/t11-/m1/s1
InChIKeyYWTIFSGKPXCVEN-LLVKDONJSA-N
XLogP2.39
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.37
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-methyl-N-[1-(4-methyl-1,3-thiazol-2-yl)propyl]butan-1-amine
CID 115887446
N-(2-imidazol-1-ylethyl)-1-(2-methoxyphenyl)propan-1-amine
CID 61325312
N-[1-(4-methyl-1,3-thiazol-2-yl)propyl]butan-2-amine
CID 115717784
2,3-dichloro-6-[(1S)-1-(2-imidazol-1-ylethylamino)propyl]phenol
CID 129392908
2,3-dichloro-6-[(1R)-1-(2-imidazol-1-ylethylamino)propyl]phenol
CID 129392909
N-(1H-imidazol-2-ylmethyl)-1-(4-methyl-1,3-thiazol-2-yl)propan-1-amine
CID 115618906
1-[1-(2-imidazol-1-ylethyl)pyrrol-3-yl]-N-propylpropan-1-amine
CID 79104998
N-(2-imidazol-1-ylethyl)-1-(1,3-thiazol-4-yl)ethanamine
CID 115878869
N-(2-imidazol-1-ylethyl)-1-(2,4,5-trimethylphenyl)ethanamine
CID 61326129
N-(2-imidazol-1-ylethyl)-2-methyl-1-thiophen-2-ylpropan-1-amine
CID 60697416
N-(2-imidazol-1-ylethyl)-4-methylpentan-2-amine
CID 61326124
1-(3,4-dimethylphenyl)-N-(2-imidazol-1-ylethyl)ethanamine
CID 61324694

Frequently Asked Questions

What is the IUPAC name of (1R)-N-(2-imidazol-1-ylethyl)-1-(4-methyl-1,3-thiazol-2-yl)propan-1-amine?
The IUPAC name of (1R)-N-(2-imidazol-1-ylethyl)-1-(4-methyl-1,3-thiazol-2-yl)propan-1-amine (CID 97353367) is (1R)-N-(2-imidazol-1-ylethyl)-1-(4-methyl-1,3-thiazol-2-yl)propan-1-amine.
What is the SMILES notation for (1R)-N-(2-imidazol-1-ylethyl)-1-(4-methyl-1,3-thiazol-2-yl)propan-1-amine?
The canonical SMILES for (1R)-N-(2-imidazol-1-ylethyl)-1-(4-methyl-1,3-thiazol-2-yl)propan-1-amine is CC[C@@H](NCCn1ccnc1)c1nc(C)cs1.
What is the InChIKey of (1R)-N-(2-imidazol-1-ylethyl)-1-(4-methyl-1,3-thiazol-2-yl)propan-1-amine?
The InChIKey is YWTIFSGKPXCVEN-LLVKDONJSA-N. The full InChI is InChI=1S/C12H18N4S/c1-3-11(12-15-10(2)8-17-12)14-5-7-16-6-4-13-9-16/h4,6,8-9,11,14H,3,5,7H2,1-2H3/t11-/m1/s1.
What are the key properties of (1R)-N-(2-imidazol-1-ylethyl)-1-(4-methyl-1,3-thiazol-2-yl)propan-1-amine?
(1R)-N-(2-imidazol-1-ylethyl)-1-(4-methyl-1,3-thiazol-2-yl)propan-1-amine has a molecular weight of 250.37 g/mol, XLogP of 2.39, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-N-(2-imidazol-1-ylethyl)-1-(4-methyl-1,3-thiazol-2-yl)propan-1-amine is sourced from PubChem (CID 97353367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).