N-(1H-imidazol-2-ylmethyl)-2-(2-propan-2-yl-1,3-thiazol-4-yl)ethanamine

C12H18N4S — CID 119111772

IUPACN-(1H-imidazol-2-ylmethyl)-2-(2-propan-2-yl-1,3-thiazol-4-yl)ethanamine
SMILESCC(C)c1nc(CCNCc2ncc[nH]2)cs1
InChIInChI=1S/C12H18N4S/c1-9(2)12-16-10(8-17-12)3-4-13-7-11-14-5-6-15-11/h5-6,8-9,13H,3-4,7H2,1-2H3,(H,14,15)
InChIKeyGXZCNPZPWUGREE-UHFFFAOYSA-N
MW250.37 g/mol
LogP2.32
Rot. Bonds6

About N-(1H-imidazol-2-ylmethyl)-2-(2-propan-2-yl-1,3-thiazol-4-yl)ethanamine

N-(1H-imidazol-2-ylmethyl)-2-(2-propan-2-yl-1,3-thiazol-4-yl)ethanamine (PubChem CID 119111772) has the molecular formula C12H18N4S and a molecular weight of 250.37 g/mol. Its IUPAC name is N-(1H-imidazol-2-ylmethyl)-2-(2-propan-2-yl-1,3-thiazol-4-yl)ethanamine.

Molecular Properties

Compound NameN-(1H-imidazol-2-ylmethyl)-2-(2-propan-2-yl-1,3-thiazol-4-yl)ethanamine
PubChem CID119111772
Molecular FormulaC12H18N4S
Molecular Weight250.37 g/mol
Exact Mass250.13
IUPAC NameN-(1H-imidazol-2-ylmethyl)-2-(2-propan-2-yl-1,3-thiazol-4-yl)ethanamine
SMILESCC(C)c1nc(CCNCc2ncc[nH]2)cs1
InChIInChI=1S/C12H18N4S/c1-9(2)12-16-10(8-17-12)3-4-13-7-11-14-5-6-15-11/h5-6,8-9,13H,3-4,7H2,1-2H3,(H,14,15)
InChIKeyGXZCNPZPWUGREE-UHFFFAOYSA-N
XLogP2.32
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.37
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(1H-imidazol-2-ylmethyl)-2-(2-propan-2-yl-1,3-thiazol-4-yl)ethanamine?
The IUPAC name of N-(1H-imidazol-2-ylmethyl)-2-(2-propan-2-yl-1,3-thiazol-4-yl)ethanamine (CID 119111772) is N-(1H-imidazol-2-ylmethyl)-2-(2-propan-2-yl-1,3-thiazol-4-yl)ethanamine.
What is the SMILES notation for N-(1H-imidazol-2-ylmethyl)-2-(2-propan-2-yl-1,3-thiazol-4-yl)ethanamine?
The canonical SMILES for N-(1H-imidazol-2-ylmethyl)-2-(2-propan-2-yl-1,3-thiazol-4-yl)ethanamine is CC(C)c1nc(CCNCc2ncc[nH]2)cs1.
What is the InChIKey of N-(1H-imidazol-2-ylmethyl)-2-(2-propan-2-yl-1,3-thiazol-4-yl)ethanamine?
The InChIKey is GXZCNPZPWUGREE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4S/c1-9(2)12-16-10(8-17-12)3-4-13-7-11-14-5-6-15-11/h5-6,8-9,13H,3-4,7H2,1-2H3,(H,14,15).
What are the key properties of N-(1H-imidazol-2-ylmethyl)-2-(2-propan-2-yl-1,3-thiazol-4-yl)ethanamine?
N-(1H-imidazol-2-ylmethyl)-2-(2-propan-2-yl-1,3-thiazol-4-yl)ethanamine has a molecular weight of 250.37 g/mol, XLogP of 2.32, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-imidazol-2-ylmethyl)-2-(2-propan-2-yl-1,3-thiazol-4-yl)ethanamine is sourced from PubChem (CID 119111772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).