N-methyl-1-(3-propan-2-ylimidazol-4-yl)-1-(4-propan-2-yl-1,3-thiazol-2-yl)methanamine

C14H22N4S — CID 66164220

IUPACN-methyl-1-(3-propan-2-ylimidazol-4-yl)-1-(4-propan-2-yl-1,3-thiazol-2-yl)methanamine
SMILESCNC(c1nc(C(C)C)cs1)c1cncn1C(C)C
InChIInChI=1S/C14H22N4S/c1-9(2)11-7-19-14(17-11)13(15-5)12-6-16-8-18(12)10(3)4/h6-10,13,15H,1-5H3
InChIKeyCSYBPVIGCOBZSJ-UHFFFAOYSA-N
MW278.43 g/mol
LogP3.35
Rot. Bonds5

About N-methyl-1-(3-propan-2-ylimidazol-4-yl)-1-(4-propan-2-yl-1,3-thiazol-2-yl)methanamine

N-methyl-1-(3-propan-2-ylimidazol-4-yl)-1-(4-propan-2-yl-1,3-thiazol-2-yl)methanamine (PubChem CID 66164220) has the molecular formula C14H22N4S and a molecular weight of 278.43 g/mol. Its IUPAC name is N-methyl-1-(3-propan-2-ylimidazol-4-yl)-1-(4-propan-2-yl-1,3-thiazol-2-yl)methanamine.

Molecular Properties

Compound NameN-methyl-1-(3-propan-2-ylimidazol-4-yl)-1-(4-propan-2-yl-1,3-thiazol-2-yl)methanamine
PubChem CID66164220
Molecular FormulaC14H22N4S
Molecular Weight278.43 g/mol
Exact Mass278.16
IUPAC NameN-methyl-1-(3-propan-2-ylimidazol-4-yl)-1-(4-propan-2-yl-1,3-thiazol-2-yl)methanamine
SMILESCNC(c1nc(C(C)C)cs1)c1cncn1C(C)C
InChIInChI=1S/C14H22N4S/c1-9(2)11-7-19-14(17-11)13(15-5)12-6-16-8-18(12)10(3)4/h6-10,13,15H,1-5H3
InChIKeyCSYBPVIGCOBZSJ-UHFFFAOYSA-N
XLogP3.35
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.43
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(1H-imidazol-5-ylmethyl)-4,5-dimethyl-1,3-thiazole
CID 9990190
4-ethyl-2-(1H-imidazol-5-ylmethyl)-1,3-thiazole
CID 10821611
4-ethyl-2-(1H-imidazol-4-yl)-1,3-thiazole
CID 136333896
1-[[1-(2-Methylpropyl)imidazol-2-yl]methyl]-3-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]urea
CID 71990205
5-propan-2-yl-N-(1,3-thiazol-4-ylmethyl)-1,3-thiazol-2-amine
CID 86790678
(2S)-4-(2-methylimidazol-1-yl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]butan-2-amine
CID 95206783
3-imidazol-1-yl-N-[(1S)-1-(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)ethyl]propan-1-amine
CID 97066979
(1S)-1-(2-tert-butyl-4-methyl-1,3-thiazol-5-yl)-N-[[1-(2-methylpropyl)imidazol-2-yl]methyl]ethanamine
CID 97603277
(2S)-1-(2-ethylimidazol-1-yl)-N-(1,3-thiazol-4-ylmethyl)propan-2-amine
CID 125440368
(2S)-1-(2-ethylimidazol-1-yl)-N-[(2-propyl-1,3-thiazol-4-yl)methyl]propan-2-amine
CID 125441890
N-[1-(1-methylimidazol-2-yl)ethyl]-1-(1,3-thiazol-4-yl)ethanamine
CID 132326817
1-(4-ethyl-1,3-thiazol-2-yl)-N-(1H-imidazol-4-ylmethyl)methanamine
CID 132422951

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(3-propan-2-ylimidazol-4-yl)-1-(4-propan-2-yl-1,3-thiazol-2-yl)methanamine?
The IUPAC name of N-methyl-1-(3-propan-2-ylimidazol-4-yl)-1-(4-propan-2-yl-1,3-thiazol-2-yl)methanamine (CID 66164220) is N-methyl-1-(3-propan-2-ylimidazol-4-yl)-1-(4-propan-2-yl-1,3-thiazol-2-yl)methanamine.
What is the SMILES notation for N-methyl-1-(3-propan-2-ylimidazol-4-yl)-1-(4-propan-2-yl-1,3-thiazol-2-yl)methanamine?
The canonical SMILES for N-methyl-1-(3-propan-2-ylimidazol-4-yl)-1-(4-propan-2-yl-1,3-thiazol-2-yl)methanamine is CNC(c1nc(C(C)C)cs1)c1cncn1C(C)C.
What is the InChIKey of N-methyl-1-(3-propan-2-ylimidazol-4-yl)-1-(4-propan-2-yl-1,3-thiazol-2-yl)methanamine?
The InChIKey is CSYBPVIGCOBZSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4S/c1-9(2)11-7-19-14(17-11)13(15-5)12-6-16-8-18(12)10(3)4/h6-10,13,15H,1-5H3.
What are the key properties of N-methyl-1-(3-propan-2-ylimidazol-4-yl)-1-(4-propan-2-yl-1,3-thiazol-2-yl)methanamine?
N-methyl-1-(3-propan-2-ylimidazol-4-yl)-1-(4-propan-2-yl-1,3-thiazol-2-yl)methanamine has a molecular weight of 278.43 g/mol, XLogP of 3.35, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(3-propan-2-ylimidazol-4-yl)-1-(4-propan-2-yl-1,3-thiazol-2-yl)methanamine is sourced from PubChem (CID 66164220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).