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

C16H26N4S — CID 66162436

IUPACN-[(3-propan-2-ylimidazol-4-yl)-(4-propan-2-yl-1,3-thiazol-2-yl)methyl]propan-2-amine
SMILESCC(C)NC(c1nc(C(C)C)cs1)c1cncn1C(C)C
InChIInChI=1S/C16H26N4S/c1-10(2)13-8-21-16(19-13)15(18-11(3)4)14-7-17-9-20(14)12(5)6/h7-12,15,18H,1-6H3
InChIKeyOLHBMFBBCNZBRY-UHFFFAOYSA-N
MW306.48 g/mol
LogP4.13
Rot. Bonds6

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

N-[(3-propan-2-ylimidazol-4-yl)-(4-propan-2-yl-1,3-thiazol-2-yl)methyl]propan-2-amine (PubChem CID 66162436) has the molecular formula C16H26N4S and a molecular weight of 306.48 g/mol. Its IUPAC name is N-[(3-propan-2-ylimidazol-4-yl)-(4-propan-2-yl-1,3-thiazol-2-yl)methyl]propan-2-amine.

Molecular Properties

Compound NameN-[(3-propan-2-ylimidazol-4-yl)-(4-propan-2-yl-1,3-thiazol-2-yl)methyl]propan-2-amine
PubChem CID66162436
Molecular FormulaC16H26N4S
Molecular Weight306.48 g/mol
Exact Mass306.19
IUPAC NameN-[(3-propan-2-ylimidazol-4-yl)-(4-propan-2-yl-1,3-thiazol-2-yl)methyl]propan-2-amine
SMILESCC(C)NC(c1nc(C(C)C)cs1)c1cncn1C(C)C
InChIInChI=1S/C16H26N4S/c1-10(2)13-8-21-16(19-13)15(18-11(3)4)14-7-17-9-20(14)12(5)6/h7-12,15,18H,1-6H3
InChIKeyOLHBMFBBCNZBRY-UHFFFAOYSA-N
XLogP4.13
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.48
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[(3-propan-2-ylimidazol-4-yl)-(4-propan-2-yl-1,3-thiazol-2-yl)methyl]propan-2-amine with MolForge

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Related Compounds

N-methyl-1-(3-propan-2-ylimidazol-4-yl)-1-(4-propan-2-yl-1,3-thiazol-2-yl)methanamine
CID 66164220
N-[(3-ethylimidazol-4-yl)-(4-propan-2-yl-1,3-thiazol-2-yl)methyl]propan-2-amine
CID 66133298
N-[(3-methylimidazol-4-yl)-(4-propan-2-yl-1,3-thiazol-2-yl)methyl]ethanamine
CID 66118401
N-[(4-propan-2-yl-1,3-thiazol-2-yl)-pyridin-3-ylmethyl]propan-2-amine
CID 61336198
N-[(3-cyclopropylimidazol-4-yl)-(4-propan-2-yl-1,3-thiazol-2-yl)methyl]ethanamine
CID 66140055
N-[(4-propan-2-yl-1,3-thiazol-2-yl)-thiophen-2-ylmethyl]propan-2-amine
CID 61347725
N-[(4-ethylphenyl)-(4-propan-2-yl-1,3-thiazol-2-yl)methyl]propan-2-amine
CID 61334433
N-propan-2-yl-1-(4-propan-2-yl-1,3-thiazol-2-yl)propan-1-amine
CID 61333650
(3-ethylimidazol-4-yl)-(4-propan-2-yl-1,3-thiazol-2-yl)methanamine
CID 66134524
(4-propan-2-yl-1,3-thiazol-2-yl)-(3-propylimidazol-4-yl)methanamine
CID 66131032
N-[(3-bromophenyl)-(4-propan-2-yl-1,3-thiazol-2-yl)methyl]propan-2-amine
CID 61335804
N-[(4-bromo-3-methylphenyl)-(4-propan-2-yl-1,3-thiazol-2-yl)methyl]propan-2-amine
CID 66481209

Frequently Asked Questions

What is the IUPAC name of N-[(3-propan-2-ylimidazol-4-yl)-(4-propan-2-yl-1,3-thiazol-2-yl)methyl]propan-2-amine?
The IUPAC name of N-[(3-propan-2-ylimidazol-4-yl)-(4-propan-2-yl-1,3-thiazol-2-yl)methyl]propan-2-amine (CID 66162436) is N-[(3-propan-2-ylimidazol-4-yl)-(4-propan-2-yl-1,3-thiazol-2-yl)methyl]propan-2-amine.
What is the SMILES notation for N-[(3-propan-2-ylimidazol-4-yl)-(4-propan-2-yl-1,3-thiazol-2-yl)methyl]propan-2-amine?
The canonical SMILES for N-[(3-propan-2-ylimidazol-4-yl)-(4-propan-2-yl-1,3-thiazol-2-yl)methyl]propan-2-amine is CC(C)NC(c1nc(C(C)C)cs1)c1cncn1C(C)C.
What is the InChIKey of N-[(3-propan-2-ylimidazol-4-yl)-(4-propan-2-yl-1,3-thiazol-2-yl)methyl]propan-2-amine?
The InChIKey is OLHBMFBBCNZBRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4S/c1-10(2)13-8-21-16(19-13)15(18-11(3)4)14-7-17-9-20(14)12(5)6/h7-12,15,18H,1-6H3.
What are the key properties of N-[(3-propan-2-ylimidazol-4-yl)-(4-propan-2-yl-1,3-thiazol-2-yl)methyl]propan-2-amine?
N-[(3-propan-2-ylimidazol-4-yl)-(4-propan-2-yl-1,3-thiazol-2-yl)methyl]propan-2-amine has a molecular weight of 306.48 g/mol, XLogP of 4.13, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-propan-2-ylimidazol-4-yl)-(4-propan-2-yl-1,3-thiazol-2-yl)methyl]propan-2-amine is sourced from PubChem (CID 66162436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).