N-methyl-1-[2-(3-propan-2-ylimidazol-4-yl)-1,3-thiazol-5-yl]ethanamine

C12H18N4S — CID 66130511

IUPACN-methyl-1-[2-(3-propan-2-ylimidazol-4-yl)-1,3-thiazol-5-yl]ethanamine
SMILESCNC(C)c1cnc(-c2cncn2C(C)C)s1
InChIInChI=1S/C12H18N4S/c1-8(2)16-7-14-5-10(16)12-15-6-11(17-12)9(3)13-4/h5-9,13H,1-4H3
InChIKeyKGVQQDSNBUJXEM-UHFFFAOYSA-N
MW250.37 g/mol
LogP2.87
Rot. Bonds4

About N-methyl-1-[2-(3-propan-2-ylimidazol-4-yl)-1,3-thiazol-5-yl]ethanamine

N-methyl-1-[2-(3-propan-2-ylimidazol-4-yl)-1,3-thiazol-5-yl]ethanamine (PubChem CID 66130511) has the molecular formula C12H18N4S and a molecular weight of 250.37 g/mol. Its IUPAC name is N-methyl-1-[2-(3-propan-2-ylimidazol-4-yl)-1,3-thiazol-5-yl]ethanamine.

Molecular Properties

Compound NameN-methyl-1-[2-(3-propan-2-ylimidazol-4-yl)-1,3-thiazol-5-yl]ethanamine
PubChem CID66130511
Molecular FormulaC12H18N4S
Molecular Weight250.37 g/mol
Exact Mass250.13
IUPAC NameN-methyl-1-[2-(3-propan-2-ylimidazol-4-yl)-1,3-thiazol-5-yl]ethanamine
SMILESCNC(C)c1cnc(-c2cncn2C(C)C)s1
InChIInChI=1S/C12H18N4S/c1-8(2)16-7-14-5-10(16)12-15-6-11(17-12)9(3)13-4/h5-9,13H,1-4H3
InChIKeyKGVQQDSNBUJXEM-UHFFFAOYSA-N
XLogP2.87
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.37
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[2-(3-propan-2-ylimidazol-4-yl)-1,3-thiazol-5-yl]ethanamine?
The IUPAC name of N-methyl-1-[2-(3-propan-2-ylimidazol-4-yl)-1,3-thiazol-5-yl]ethanamine (CID 66130511) is N-methyl-1-[2-(3-propan-2-ylimidazol-4-yl)-1,3-thiazol-5-yl]ethanamine.
What is the SMILES notation for N-methyl-1-[2-(3-propan-2-ylimidazol-4-yl)-1,3-thiazol-5-yl]ethanamine?
The canonical SMILES for N-methyl-1-[2-(3-propan-2-ylimidazol-4-yl)-1,3-thiazol-5-yl]ethanamine is CNC(C)c1cnc(-c2cncn2C(C)C)s1.
What is the InChIKey of N-methyl-1-[2-(3-propan-2-ylimidazol-4-yl)-1,3-thiazol-5-yl]ethanamine?
The InChIKey is KGVQQDSNBUJXEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4S/c1-8(2)16-7-14-5-10(16)12-15-6-11(17-12)9(3)13-4/h5-9,13H,1-4H3.
What are the key properties of N-methyl-1-[2-(3-propan-2-ylimidazol-4-yl)-1,3-thiazol-5-yl]ethanamine?
N-methyl-1-[2-(3-propan-2-ylimidazol-4-yl)-1,3-thiazol-5-yl]ethanamine has a molecular weight of 250.37 g/mol, XLogP of 2.87, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[2-(3-propan-2-ylimidazol-4-yl)-1,3-thiazol-5-yl]ethanamine is sourced from PubChem (CID 66130511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).