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

C11H16N4S — CID 62222485

IUPAC[1-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]imidazol-2-yl]methanamine
SMILESCC(C)c1nc(Cn2ccnc2CN)cs1
InChIInChI=1S/C11H16N4S/c1-8(2)11-14-9(7-16-11)6-15-4-3-13-10(15)5-12/h3-4,7-8H,5-6,12H2,1-2H3
InChIKeyDFPLGDSBNKIMMN-UHFFFAOYSA-N
MW236.34 g/mol
LogP1.97
Rot. Bonds4

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

[1-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]imidazol-2-yl]methanamine (PubChem CID 62222485) has the molecular formula C11H16N4S and a molecular weight of 236.34 g/mol. Its IUPAC name is [1-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]imidazol-2-yl]methanamine.

Molecular Properties

Compound Name[1-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]imidazol-2-yl]methanamine
PubChem CID62222485
Molecular FormulaC11H16N4S
Molecular Weight236.34 g/mol
Exact Mass236.11
IUPAC Name[1-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]imidazol-2-yl]methanamine
SMILESCC(C)c1nc(Cn2ccnc2CN)cs1
InChIInChI=1S/C11H16N4S/c1-8(2)11-14-9(7-16-11)6-15-4-3-13-10(15)5-12/h3-4,7-8H,5-6,12H2,1-2H3
InChIKeyDFPLGDSBNKIMMN-UHFFFAOYSA-N
XLogP1.97
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.34
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-methyl-N-[[1-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]imidazol-2-yl]methyl]propan-1-amine
CID 66402484
2-propan-2-yl-4-[(2-thiophen-2-ylimidazol-1-yl)methyl]-1,3-thiazole
CID 115917986
[1-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]indol-3-yl]methanamine
CID 66410337
2-[4-[[2-(aminomethyl)imidazol-1-yl]methyl]-1,3-thiazol-2-yl]-N-phenylacetamide
CID 167753812
4-[(2-methylimidazol-1-yl)methyl]-1,3-thiazol-2-amine
CID 43137964
3-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]thieno[2,3-d]pyrimidin-4-one
CID 38866791
1-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]piperidin-4-one
CID 61487353
2-[(2-propan-2-yl-1,3-thiazol-4-yl)methylsulfanyl]propan-1-amine
CID 66244562
N-methyl-1-[1-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]indol-6-yl]methanamine
CID 102916609
(1-benzylimidazol-2-yl)methanamine;dihydrochloride
CID 13478012
N-methyl-1-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]piperidin-4-amine
CID 119923292
[1-(imidazo[1,2-a]pyridin-2-ylmethyl)imidazol-2-yl]methanamine
CID 62221773

Frequently Asked Questions

What is the IUPAC name of [1-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]imidazol-2-yl]methanamine?
The IUPAC name of [1-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]imidazol-2-yl]methanamine (CID 62222485) is [1-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]imidazol-2-yl]methanamine.
What is the SMILES notation for [1-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]imidazol-2-yl]methanamine?
The canonical SMILES for [1-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]imidazol-2-yl]methanamine is CC(C)c1nc(Cn2ccnc2CN)cs1.
What is the InChIKey of [1-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]imidazol-2-yl]methanamine?
The InChIKey is DFPLGDSBNKIMMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4S/c1-8(2)11-14-9(7-16-11)6-15-4-3-13-10(15)5-12/h3-4,7-8H,5-6,12H2,1-2H3.
What are the key properties of [1-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]imidazol-2-yl]methanamine?
[1-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]imidazol-2-yl]methanamine has a molecular weight of 236.34 g/mol, XLogP of 1.97, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]imidazol-2-yl]methanamine is sourced from PubChem (CID 62222485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).