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

C12H18N4S — CID 65197995

IUPAC2-methyl-N-[[2-(1-methylpyrazol-4-yl)-1,3-thiazol-5-yl]methyl]propan-2-amine
SMILESCn1cc(-c2ncc(CNC(C)(C)C)s2)cn1
InChIInChI=1S/C12H18N4S/c1-12(2,3)14-7-10-6-13-11(17-10)9-5-15-16(4)8-9/h5-6,8,14H,7H2,1-4H3
InChIKeyYXIGVQMESCAKES-UHFFFAOYSA-N
MW250.37 g/mol
LogP2.43
Rot. Bonds3

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

2-methyl-N-[[2-(1-methylpyrazol-4-yl)-1,3-thiazol-5-yl]methyl]propan-2-amine (PubChem CID 65197995) has the molecular formula C12H18N4S and a molecular weight of 250.37 g/mol. Its IUPAC name is 2-methyl-N-[[2-(1-methylpyrazol-4-yl)-1,3-thiazol-5-yl]methyl]propan-2-amine.

Molecular Properties

Compound Name2-methyl-N-[[2-(1-methylpyrazol-4-yl)-1,3-thiazol-5-yl]methyl]propan-2-amine
PubChem CID65197995
Molecular FormulaC12H18N4S
Molecular Weight250.37 g/mol
Exact Mass250.13
IUPAC Name2-methyl-N-[[2-(1-methylpyrazol-4-yl)-1,3-thiazol-5-yl]methyl]propan-2-amine
SMILESCn1cc(-c2ncc(CNC(C)(C)C)s2)cn1
InChIInChI=1S/C12H18N4S/c1-12(2,3)14-7-10-6-13-11(17-10)9-5-15-16(4)8-9/h5-6,8,14H,7H2,1-4H3
InChIKeyYXIGVQMESCAKES-UHFFFAOYSA-N
XLogP2.43
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.37
LogP ≤ 52.43
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-(1-methylpyrazol-4-yl)-1,3-thiazol-5-yl]methyl]propan-2-amine?
The IUPAC name of 2-methyl-N-[[2-(1-methylpyrazol-4-yl)-1,3-thiazol-5-yl]methyl]propan-2-amine (CID 65197995) is 2-methyl-N-[[2-(1-methylpyrazol-4-yl)-1,3-thiazol-5-yl]methyl]propan-2-amine.
What is the SMILES notation for 2-methyl-N-[[2-(1-methylpyrazol-4-yl)-1,3-thiazol-5-yl]methyl]propan-2-amine?
The canonical SMILES for 2-methyl-N-[[2-(1-methylpyrazol-4-yl)-1,3-thiazol-5-yl]methyl]propan-2-amine is Cn1cc(-c2ncc(CNC(C)(C)C)s2)cn1.
What is the InChIKey of 2-methyl-N-[[2-(1-methylpyrazol-4-yl)-1,3-thiazol-5-yl]methyl]propan-2-amine?
The InChIKey is YXIGVQMESCAKES-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4S/c1-12(2,3)14-7-10-6-13-11(17-10)9-5-15-16(4)8-9/h5-6,8,14H,7H2,1-4H3.
What are the key properties of 2-methyl-N-[[2-(1-methylpyrazol-4-yl)-1,3-thiazol-5-yl]methyl]propan-2-amine?
2-methyl-N-[[2-(1-methylpyrazol-4-yl)-1,3-thiazol-5-yl]methyl]propan-2-amine has a molecular weight of 250.37 g/mol, XLogP of 2.43, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[[2-(1-methylpyrazol-4-yl)-1,3-thiazol-5-yl]methyl]propan-2-amine is sourced from PubChem (CID 65197995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).