N-methyl-2-[3-[(2-methyl-1,3-thiazol-4-yl)methyl]imidazol-4-yl]propan-2-amine

C12H18N4S — CID 114708165

IUPACN-methyl-2-[3-[(2-methyl-1,3-thiazol-4-yl)methyl]imidazol-4-yl]propan-2-amine
SMILESCNC(C)(C)c1cncn1Cc1csc(C)n1
InChIInChI=1S/C12H18N4S/c1-9-15-10(7-17-9)6-16-8-14-5-11(16)12(2,3)13-4/h5,7-8,13H,6H2,1-4H3
InChIKeyLJVQEQVWEMHXBW-UHFFFAOYSA-N
MW250.37 g/mol
LogP2.15
Rot. Bonds4

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

N-methyl-2-[3-[(2-methyl-1,3-thiazol-4-yl)methyl]imidazol-4-yl]propan-2-amine (PubChem CID 114708165) has the molecular formula C12H18N4S and a molecular weight of 250.37 g/mol. Its IUPAC name is N-methyl-2-[3-[(2-methyl-1,3-thiazol-4-yl)methyl]imidazol-4-yl]propan-2-amine.

Molecular Properties

Compound NameN-methyl-2-[3-[(2-methyl-1,3-thiazol-4-yl)methyl]imidazol-4-yl]propan-2-amine
PubChem CID114708165
Molecular FormulaC12H18N4S
Molecular Weight250.37 g/mol
Exact Mass250.13
IUPAC NameN-methyl-2-[3-[(2-methyl-1,3-thiazol-4-yl)methyl]imidazol-4-yl]propan-2-amine
SMILESCNC(C)(C)c1cncn1Cc1csc(C)n1
InChIInChI=1S/C12H18N4S/c1-9-15-10(7-17-9)6-16-8-14-5-11(16)12(2,3)13-4/h5,7-8,13H,6H2,1-4H3
InChIKeyLJVQEQVWEMHXBW-UHFFFAOYSA-N
XLogP2.15
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.37
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl N-[2-methyl-1-[3-[(2-methyl-1,3-thiazol-4-yl)methyl]imidazol-4-yl]propan-2-yl]carbamate
CID 112754046
[3-[(2-methyl-1,3-thiazol-4-yl)methyl]imidazol-4-yl]-phenylmethanamine
CID 114704846
N-methyl-2-[3-(2-methyl-3-methylsulfanylpropyl)imidazol-4-yl]propan-2-amine
CID 114708302
N-tert-butyl-3-[5-[2-(methylamino)propan-2-yl]imidazol-1-yl]propanamide
CID 114708418
4-[(2,3-dimethylpyrrol-1-yl)methyl]-2-methyl-1,3-thiazole
CID 141136037
N-methyl-2-(2-methyl-1,3-thiazol-4-yl)propan-2-amine
CID 82598274
2-methyl-4-[(2,3,4-trimethylpyrrol-1-yl)methyl]-1,3-thiazole
CID 63926670
2-methyl-3-(methylamino)-2-[(2-methyl-1,3-thiazol-4-yl)methyl]-3-oxopropanoic acid
CID 114900157
1-(tert-butylamino)-2-methyl-3-(2-methyl-1,3-thiazol-4-yl)propan-2-ol
CID 66038221
2-[3-(1-methoxy-2-methylpropan-2-yl)imidazol-4-yl]-N-methylpropan-2-amine
CID 114708434
2-[3-[2-[2-methoxyethyl(methyl)amino]ethyl]imidazol-4-yl]-N-methylpropan-2-amine
CID 114708261
N-methyl-1-(2-methyl-1,3-thiazol-4-yl)methanamine;hydrate;dihydrochloride
CID 74892089

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[3-[(2-methyl-1,3-thiazol-4-yl)methyl]imidazol-4-yl]propan-2-amine?
The IUPAC name of N-methyl-2-[3-[(2-methyl-1,3-thiazol-4-yl)methyl]imidazol-4-yl]propan-2-amine (CID 114708165) is N-methyl-2-[3-[(2-methyl-1,3-thiazol-4-yl)methyl]imidazol-4-yl]propan-2-amine.
What is the SMILES notation for N-methyl-2-[3-[(2-methyl-1,3-thiazol-4-yl)methyl]imidazol-4-yl]propan-2-amine?
The canonical SMILES for N-methyl-2-[3-[(2-methyl-1,3-thiazol-4-yl)methyl]imidazol-4-yl]propan-2-amine is CNC(C)(C)c1cncn1Cc1csc(C)n1.
What is the InChIKey of N-methyl-2-[3-[(2-methyl-1,3-thiazol-4-yl)methyl]imidazol-4-yl]propan-2-amine?
The InChIKey is LJVQEQVWEMHXBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4S/c1-9-15-10(7-17-9)6-16-8-14-5-11(16)12(2,3)13-4/h5,7-8,13H,6H2,1-4H3.
What are the key properties of N-methyl-2-[3-[(2-methyl-1,3-thiazol-4-yl)methyl]imidazol-4-yl]propan-2-amine?
N-methyl-2-[3-[(2-methyl-1,3-thiazol-4-yl)methyl]imidazol-4-yl]propan-2-amine has a molecular weight of 250.37 g/mol, XLogP of 2.15, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[3-[(2-methyl-1,3-thiazol-4-yl)methyl]imidazol-4-yl]propan-2-amine is sourced from PubChem (CID 114708165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).