5-propan-2-yl-4-(1,3,5-trimethylpyrazol-4-yl)-1,3-thiazol-2-amine

C12H18N4S — CID 82106915

IUPAC5-propan-2-yl-4-(1,3,5-trimethylpyrazol-4-yl)-1,3-thiazol-2-amine
SMILESCc1nn(C)c(C)c1-c1nc(N)sc1C(C)C
InChIInChI=1S/C12H18N4S/c1-6(2)11-10(14-12(13)17-11)9-7(3)15-16(5)8(9)4/h6H,1-5H3,(H2,13,14)
InChIKeyNXTPFNNUAULNLZ-UHFFFAOYSA-N
MW250.37 g/mol
LogP2.87
Rot. Bonds2

About 5-propan-2-yl-4-(1,3,5-trimethylpyrazol-4-yl)-1,3-thiazol-2-amine

5-propan-2-yl-4-(1,3,5-trimethylpyrazol-4-yl)-1,3-thiazol-2-amine (PubChem CID 82106915) has the molecular formula C12H18N4S and a molecular weight of 250.37 g/mol. Its IUPAC name is 5-propan-2-yl-4-(1,3,5-trimethylpyrazol-4-yl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-propan-2-yl-4-(1,3,5-trimethylpyrazol-4-yl)-1,3-thiazol-2-amine
PubChem CID82106915
Molecular FormulaC12H18N4S
Molecular Weight250.37 g/mol
Exact Mass250.13
IUPAC Name5-propan-2-yl-4-(1,3,5-trimethylpyrazol-4-yl)-1,3-thiazol-2-amine
SMILESCc1nn(C)c(C)c1-c1nc(N)sc1C(C)C
InChIInChI=1S/C12H18N4S/c1-6(2)11-10(14-12(13)17-11)9-7(3)15-16(5)8(9)4/h6H,1-5H3,(H2,13,14)
InChIKeyNXTPFNNUAULNLZ-UHFFFAOYSA-N
XLogP2.87
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
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 5-propan-2-yl-4-(1,3,5-trimethylpyrazol-4-yl)-1,3-thiazol-2-amine?
The IUPAC name of 5-propan-2-yl-4-(1,3,5-trimethylpyrazol-4-yl)-1,3-thiazol-2-amine (CID 82106915) is 5-propan-2-yl-4-(1,3,5-trimethylpyrazol-4-yl)-1,3-thiazol-2-amine.
What is the SMILES notation for 5-propan-2-yl-4-(1,3,5-trimethylpyrazol-4-yl)-1,3-thiazol-2-amine?
The canonical SMILES for 5-propan-2-yl-4-(1,3,5-trimethylpyrazol-4-yl)-1,3-thiazol-2-amine is Cc1nn(C)c(C)c1-c1nc(N)sc1C(C)C.
What is the InChIKey of 5-propan-2-yl-4-(1,3,5-trimethylpyrazol-4-yl)-1,3-thiazol-2-amine?
The InChIKey is NXTPFNNUAULNLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4S/c1-6(2)11-10(14-12(13)17-11)9-7(3)15-16(5)8(9)4/h6H,1-5H3,(H2,13,14).
What are the key properties of 5-propan-2-yl-4-(1,3,5-trimethylpyrazol-4-yl)-1,3-thiazol-2-amine?
5-propan-2-yl-4-(1,3,5-trimethylpyrazol-4-yl)-1,3-thiazol-2-amine has a molecular weight of 250.37 g/mol, XLogP of 2.87, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-propan-2-yl-4-(1,3,5-trimethylpyrazol-4-yl)-1,3-thiazol-2-amine is sourced from PubChem (CID 82106915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).