4-(1,3-dimethylpyrazol-4-yl)-N-(2-methylpropyl)-1,3-thiazol-2-amine

C12H18N4S — CID 63931625

IUPAC4-(1,3-dimethylpyrazol-4-yl)-N-(2-methylpropyl)-1,3-thiazol-2-amine
SMILESCc1nn(C)cc1-c1csc(NCC(C)C)n1
InChIInChI=1S/C12H18N4S/c1-8(2)5-13-12-14-11(7-17-12)10-6-16(4)15-9(10)3/h6-8H,5H2,1-4H3,(H,13,14)
InChIKeyFBEFQPSGBNUIJW-UHFFFAOYSA-N
MW250.37 g/mol
LogP2.92
Rot. Bonds4

About 4-(1,3-dimethylpyrazol-4-yl)-N-(2-methylpropyl)-1,3-thiazol-2-amine

4-(1,3-dimethylpyrazol-4-yl)-N-(2-methylpropyl)-1,3-thiazol-2-amine (PubChem CID 63931625) has the molecular formula C12H18N4S and a molecular weight of 250.37 g/mol. Its IUPAC name is 4-(1,3-dimethylpyrazol-4-yl)-N-(2-methylpropyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-(1,3-dimethylpyrazol-4-yl)-N-(2-methylpropyl)-1,3-thiazol-2-amine
PubChem CID63931625
Molecular FormulaC12H18N4S
Molecular Weight250.37 g/mol
Exact Mass250.13
IUPAC Name4-(1,3-dimethylpyrazol-4-yl)-N-(2-methylpropyl)-1,3-thiazol-2-amine
SMILESCc1nn(C)cc1-c1csc(NCC(C)C)n1
InChIInChI=1S/C12H18N4S/c1-8(2)5-13-12-14-11(7-17-12)10-6-16(4)15-9(10)3/h6-8H,5H2,1-4H3,(H,13,14)
InChIKeyFBEFQPSGBNUIJW-UHFFFAOYSA-N
XLogP2.92
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 ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(1,3-dimethylpyrazol-4-yl)-N-(2-methylpropyl)-1,3-thiazol-2-amine?
The IUPAC name of 4-(1,3-dimethylpyrazol-4-yl)-N-(2-methylpropyl)-1,3-thiazol-2-amine (CID 63931625) is 4-(1,3-dimethylpyrazol-4-yl)-N-(2-methylpropyl)-1,3-thiazol-2-amine.
What is the SMILES notation for 4-(1,3-dimethylpyrazol-4-yl)-N-(2-methylpropyl)-1,3-thiazol-2-amine?
The canonical SMILES for 4-(1,3-dimethylpyrazol-4-yl)-N-(2-methylpropyl)-1,3-thiazol-2-amine is Cc1nn(C)cc1-c1csc(NCC(C)C)n1.
What is the InChIKey of 4-(1,3-dimethylpyrazol-4-yl)-N-(2-methylpropyl)-1,3-thiazol-2-amine?
The InChIKey is FBEFQPSGBNUIJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4S/c1-8(2)5-13-12-14-11(7-17-12)10-6-16(4)15-9(10)3/h6-8H,5H2,1-4H3,(H,13,14).
What are the key properties of 4-(1,3-dimethylpyrazol-4-yl)-N-(2-methylpropyl)-1,3-thiazol-2-amine?
4-(1,3-dimethylpyrazol-4-yl)-N-(2-methylpropyl)-1,3-thiazol-2-amine has a molecular weight of 250.37 g/mol, XLogP of 2.92, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,3-dimethylpyrazol-4-yl)-N-(2-methylpropyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 63931625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).