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

C12H18N4S — CID 62941260

IUPACN-propan-2-yl-4-(1,3,5-trimethylpyrazol-4-yl)-1,3-thiazol-2-amine
SMILESCc1nn(C)c(C)c1-c1csc(NC(C)C)n1
InChIInChI=1S/C12H18N4S/c1-7(2)13-12-14-10(6-17-12)11-8(3)15-16(5)9(11)4/h6-7H,1-5H3,(H,13,14)
InChIKeyAJRRPGBYWHYCFE-UHFFFAOYSA-N
MW250.37 g/mol
LogP2.98
Rot. Bonds3

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

N-propan-2-yl-4-(1,3,5-trimethylpyrazol-4-yl)-1,3-thiazol-2-amine (PubChem CID 62941260) has the molecular formula C12H18N4S and a molecular weight of 250.37 g/mol. Its IUPAC name is N-propan-2-yl-4-(1,3,5-trimethylpyrazol-4-yl)-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-propan-2-yl-4-(1,3,5-trimethylpyrazol-4-yl)-1,3-thiazol-2-amine
PubChem CID62941260
Molecular FormulaC12H18N4S
Molecular Weight250.37 g/mol
Exact Mass250.13
IUPAC NameN-propan-2-yl-4-(1,3,5-trimethylpyrazol-4-yl)-1,3-thiazol-2-amine
SMILESCc1nn(C)c(C)c1-c1csc(NC(C)C)n1
InChIInChI=1S/C12H18N4S/c1-7(2)13-12-14-10(6-17-12)11-8(3)15-16(5)9(11)4/h6-7H,1-5H3,(H,13,14)
InChIKeyAJRRPGBYWHYCFE-UHFFFAOYSA-N
XLogP2.98
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 ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-propan-2-yl-4-(1,3,5-trimethylpyrazol-4-yl)-1,3-thiazol-2-amine?
The IUPAC name of N-propan-2-yl-4-(1,3,5-trimethylpyrazol-4-yl)-1,3-thiazol-2-amine (CID 62941260) is N-propan-2-yl-4-(1,3,5-trimethylpyrazol-4-yl)-1,3-thiazol-2-amine.
What is the SMILES notation for N-propan-2-yl-4-(1,3,5-trimethylpyrazol-4-yl)-1,3-thiazol-2-amine?
The canonical SMILES for N-propan-2-yl-4-(1,3,5-trimethylpyrazol-4-yl)-1,3-thiazol-2-amine is Cc1nn(C)c(C)c1-c1csc(NC(C)C)n1.
What is the InChIKey of N-propan-2-yl-4-(1,3,5-trimethylpyrazol-4-yl)-1,3-thiazol-2-amine?
The InChIKey is AJRRPGBYWHYCFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4S/c1-7(2)13-12-14-10(6-17-12)11-8(3)15-16(5)9(11)4/h6-7H,1-5H3,(H,13,14).
What are the key properties of N-propan-2-yl-4-(1,3,5-trimethylpyrazol-4-yl)-1,3-thiazol-2-amine?
N-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 2.98, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-propan-2-yl-4-(1,3,5-trimethylpyrazol-4-yl)-1,3-thiazol-2-amine is sourced from PubChem (CID 62941260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).