2-methyl-N-[[2-(3-methylimidazol-4-yl)-4-propyl-1,3-thiazol-5-yl]methyl]propan-2-amine

C15H24N4S — CID 114364552

IUPAC2-methyl-N-[[2-(3-methylimidazol-4-yl)-4-propyl-1,3-thiazol-5-yl]methyl]propan-2-amine
SMILESCCCc1nc(-c2cncn2C)sc1CNC(C)(C)C
InChIInChI=1S/C15H24N4S/c1-6-7-11-13(9-17-15(2,3)4)20-14(18-11)12-8-16-10-19(12)5/h8,10,17H,6-7,9H2,1-5H3
InChIKeyFDNKUNLSBLXEQY-UHFFFAOYSA-N
MW292.45 g/mol
LogP3.38
Rot. Bonds5

About 2-methyl-N-[[2-(3-methylimidazol-4-yl)-4-propyl-1,3-thiazol-5-yl]methyl]propan-2-amine

2-methyl-N-[[2-(3-methylimidazol-4-yl)-4-propyl-1,3-thiazol-5-yl]methyl]propan-2-amine (PubChem CID 114364552) has the molecular formula C15H24N4S and a molecular weight of 292.45 g/mol. Its IUPAC name is 2-methyl-N-[[2-(3-methylimidazol-4-yl)-4-propyl-1,3-thiazol-5-yl]methyl]propan-2-amine.

Molecular Properties

Compound Name2-methyl-N-[[2-(3-methylimidazol-4-yl)-4-propyl-1,3-thiazol-5-yl]methyl]propan-2-amine
PubChem CID114364552
Molecular FormulaC15H24N4S
Molecular Weight292.45 g/mol
Exact Mass292.17
IUPAC Name2-methyl-N-[[2-(3-methylimidazol-4-yl)-4-propyl-1,3-thiazol-5-yl]methyl]propan-2-amine
SMILESCCCc1nc(-c2cncn2C)sc1CNC(C)(C)C
InChIInChI=1S/C15H24N4S/c1-6-7-11-13(9-17-15(2,3)4)20-14(18-11)12-8-16-10-19(12)5/h8,10,17H,6-7,9H2,1-5H3
InChIKeyFDNKUNLSBLXEQY-UHFFFAOYSA-N
XLogP3.38
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.45
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[[2-(3-methylimidazol-4-yl)-4-propyl-1,3-thiazol-5-yl]methyl]propan-2-amine?
The IUPAC name of 2-methyl-N-[[2-(3-methylimidazol-4-yl)-4-propyl-1,3-thiazol-5-yl]methyl]propan-2-amine (CID 114364552) is 2-methyl-N-[[2-(3-methylimidazol-4-yl)-4-propyl-1,3-thiazol-5-yl]methyl]propan-2-amine.
What is the SMILES notation for 2-methyl-N-[[2-(3-methylimidazol-4-yl)-4-propyl-1,3-thiazol-5-yl]methyl]propan-2-amine?
The canonical SMILES for 2-methyl-N-[[2-(3-methylimidazol-4-yl)-4-propyl-1,3-thiazol-5-yl]methyl]propan-2-amine is CCCc1nc(-c2cncn2C)sc1CNC(C)(C)C.
What is the InChIKey of 2-methyl-N-[[2-(3-methylimidazol-4-yl)-4-propyl-1,3-thiazol-5-yl]methyl]propan-2-amine?
The InChIKey is FDNKUNLSBLXEQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4S/c1-6-7-11-13(9-17-15(2,3)4)20-14(18-11)12-8-16-10-19(12)5/h8,10,17H,6-7,9H2,1-5H3.
What are the key properties of 2-methyl-N-[[2-(3-methylimidazol-4-yl)-4-propyl-1,3-thiazol-5-yl]methyl]propan-2-amine?
2-methyl-N-[[2-(3-methylimidazol-4-yl)-4-propyl-1,3-thiazol-5-yl]methyl]propan-2-amine has a molecular weight of 292.45 g/mol, XLogP of 3.38, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[[2-(3-methylimidazol-4-yl)-4-propyl-1,3-thiazol-5-yl]methyl]propan-2-amine is sourced from PubChem (CID 114364552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).