1-[4-cyclopropyl-2-(1-methylpyrazol-3-yl)-1,3-thiazol-5-yl]-N-methylmethanamine

C12H16N4S — CID 114366957

IUPAC1-[4-cyclopropyl-2-(1-methylpyrazol-3-yl)-1,3-thiazol-5-yl]-N-methylmethanamine
SMILESCNCc1sc(-c2ccn(C)n2)nc1C1CC1
InChIInChI=1S/C12H16N4S/c1-13-7-10-11(8-3-4-8)14-12(17-10)9-5-6-16(2)15-9/h5-6,8,13H,3-4,7H2,1-2H3
InChIKeyXKKIWQJGDWMMDG-UHFFFAOYSA-N
MW248.35 g/mol
LogP2.14
Rot. Bonds4

About 1-[4-cyclopropyl-2-(1-methylpyrazol-3-yl)-1,3-thiazol-5-yl]-N-methylmethanamine

1-[4-cyclopropyl-2-(1-methylpyrazol-3-yl)-1,3-thiazol-5-yl]-N-methylmethanamine (PubChem CID 114366957) has the molecular formula C12H16N4S and a molecular weight of 248.35 g/mol. Its IUPAC name is 1-[4-cyclopropyl-2-(1-methylpyrazol-3-yl)-1,3-thiazol-5-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[4-cyclopropyl-2-(1-methylpyrazol-3-yl)-1,3-thiazol-5-yl]-N-methylmethanamine
PubChem CID114366957
Molecular FormulaC12H16N4S
Molecular Weight248.35 g/mol
Exact Mass248.11
IUPAC Name1-[4-cyclopropyl-2-(1-methylpyrazol-3-yl)-1,3-thiazol-5-yl]-N-methylmethanamine
SMILESCNCc1sc(-c2ccn(C)n2)nc1C1CC1
InChIInChI=1S/C12H16N4S/c1-13-7-10-11(8-3-4-8)14-12(17-10)9-5-6-16(2)15-9/h5-6,8,13H,3-4,7H2,1-2H3
InChIKeyXKKIWQJGDWMMDG-UHFFFAOYSA-N
XLogP2.14
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.35
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[4-cyclopropyl-2-(1-methylpyrazol-3-yl)-1,3-thiazol-5-yl]-N-methylmethanamine?
The IUPAC name of 1-[4-cyclopropyl-2-(1-methylpyrazol-3-yl)-1,3-thiazol-5-yl]-N-methylmethanamine (CID 114366957) is 1-[4-cyclopropyl-2-(1-methylpyrazol-3-yl)-1,3-thiazol-5-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[4-cyclopropyl-2-(1-methylpyrazol-3-yl)-1,3-thiazol-5-yl]-N-methylmethanamine?
The canonical SMILES for 1-[4-cyclopropyl-2-(1-methylpyrazol-3-yl)-1,3-thiazol-5-yl]-N-methylmethanamine is CNCc1sc(-c2ccn(C)n2)nc1C1CC1.
What is the InChIKey of 1-[4-cyclopropyl-2-(1-methylpyrazol-3-yl)-1,3-thiazol-5-yl]-N-methylmethanamine?
The InChIKey is XKKIWQJGDWMMDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4S/c1-13-7-10-11(8-3-4-8)14-12(17-10)9-5-6-16(2)15-9/h5-6,8,13H,3-4,7H2,1-2H3.
What are the key properties of 1-[4-cyclopropyl-2-(1-methylpyrazol-3-yl)-1,3-thiazol-5-yl]-N-methylmethanamine?
1-[4-cyclopropyl-2-(1-methylpyrazol-3-yl)-1,3-thiazol-5-yl]-N-methylmethanamine has a molecular weight of 248.35 g/mol, XLogP of 2.14, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-cyclopropyl-2-(1-methylpyrazol-3-yl)-1,3-thiazol-5-yl]-N-methylmethanamine is sourced from PubChem (CID 114366957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).