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

C15H24N4S — CID 66402484

IUPAC2-methyl-N-[[1-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]imidazol-2-yl]methyl]propan-1-amine
SMILESCC(C)CNCc1nccn1Cc1csc(C(C)C)n1
InChIInChI=1S/C15H24N4S/c1-11(2)7-16-8-14-17-5-6-19(14)9-13-10-20-15(18-13)12(3)4/h5-6,10-12,16H,7-9H2,1-4H3
InChIKeyUMFCPNOVURTZAU-UHFFFAOYSA-N
MW292.45 g/mol
LogP3.26
Rot. Bonds7

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

2-methyl-N-[[1-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]imidazol-2-yl]methyl]propan-1-amine (PubChem CID 66402484) has the molecular formula C15H24N4S and a molecular weight of 292.45 g/mol. Its IUPAC name is 2-methyl-N-[[1-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]imidazol-2-yl]methyl]propan-1-amine.

Molecular Properties

Compound Name2-methyl-N-[[1-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]imidazol-2-yl]methyl]propan-1-amine
PubChem CID66402484
Molecular FormulaC15H24N4S
Molecular Weight292.45 g/mol
Exact Mass292.17
IUPAC Name2-methyl-N-[[1-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]imidazol-2-yl]methyl]propan-1-amine
SMILESCC(C)CNCc1nccn1Cc1csc(C(C)C)n1
InChIInChI=1S/C15H24N4S/c1-11(2)7-16-8-14-17-5-6-19(14)9-13-10-20-15(18-13)12(3)4/h5-6,10-12,16H,7-9H2,1-4H3
InChIKeyUMFCPNOVURTZAU-UHFFFAOYSA-N
XLogP3.26
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.45
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[[1-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]imidazol-2-yl]methyl]propan-1-amine?
The IUPAC name of 2-methyl-N-[[1-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]imidazol-2-yl]methyl]propan-1-amine (CID 66402484) is 2-methyl-N-[[1-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]imidazol-2-yl]methyl]propan-1-amine.
What is the SMILES notation for 2-methyl-N-[[1-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]imidazol-2-yl]methyl]propan-1-amine?
The canonical SMILES for 2-methyl-N-[[1-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]imidazol-2-yl]methyl]propan-1-amine is CC(C)CNCc1nccn1Cc1csc(C(C)C)n1.
What is the InChIKey of 2-methyl-N-[[1-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]imidazol-2-yl]methyl]propan-1-amine?
The InChIKey is UMFCPNOVURTZAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4S/c1-11(2)7-16-8-14-17-5-6-19(14)9-13-10-20-15(18-13)12(3)4/h5-6,10-12,16H,7-9H2,1-4H3.
What are the key properties of 2-methyl-N-[[1-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]imidazol-2-yl]methyl]propan-1-amine?
2-methyl-N-[[1-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]imidazol-2-yl]methyl]propan-1-amine has a molecular weight of 292.45 g/mol, XLogP of 3.26, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[[1-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]imidazol-2-yl]methyl]propan-1-amine is sourced from PubChem (CID 66402484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).