4-(3-methyl-1-propylpyrazol-4-yl)-N-(6-methyl-2-pyridinyl)-1,3-thiazol-2-amine

C16H19N5S — CID 25205063

IUPAC4-(3-methyl-1-propylpyrazol-4-yl)-N-(6-methyl-2-pyridinyl)-1,3-thiazol-2-amine
SMILESCCCn1cc(-c2csc(Nc3cccc(C)n3)n2)c(C)n1
InChIInChI=1S/C16H19N5S/c1-4-8-21-9-13(12(3)20-21)14-10-22-16(18-14)19-15-7-5-6-11(2)17-15/h5-7,9-10H,4,8H2,1-3H3,(H,17,18,19)
InChIKeyNNSBQQQGJOPJPS-UHFFFAOYSA-N
MW313.43 g/mol
LogP4.17
Rot. Bonds5

About 4-(3-methyl-1-propylpyrazol-4-yl)-N-(6-methyl-2-pyridinyl)-1,3-thiazol-2-amine

4-(3-methyl-1-propylpyrazol-4-yl)-N-(6-methyl-2-pyridinyl)-1,3-thiazol-2-amine (PubChem CID 25205063) has the molecular formula C16H19N5S and a molecular weight of 313.43 g/mol. Its IUPAC name is 4-(3-methyl-1-propylpyrazol-4-yl)-N-(6-methyl-2-pyridinyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-(3-methyl-1-propylpyrazol-4-yl)-N-(6-methyl-2-pyridinyl)-1,3-thiazol-2-amine
PubChem CID25205063
Molecular FormulaC16H19N5S
Molecular Weight313.43 g/mol
Exact Mass313.14
IUPAC Name4-(3-methyl-1-propylpyrazol-4-yl)-N-(6-methyl-2-pyridinyl)-1,3-thiazol-2-amine
SMILESCCCn1cc(-c2csc(Nc3cccc(C)n3)n2)c(C)n1
InChIInChI=1S/C16H19N5S/c1-4-8-21-9-13(12(3)20-21)14-10-22-16(18-14)19-15-7-5-6-11(2)17-15/h5-7,9-10H,4,8H2,1-3H3,(H,17,18,19)
InChIKeyNNSBQQQGJOPJPS-UHFFFAOYSA-N
XLogP4.17
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.43
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(3-methyl-1-propylpyrazol-4-yl)-N-(6-methyl-2-pyridinyl)-1,3-thiazol-2-amine?
The IUPAC name of 4-(3-methyl-1-propylpyrazol-4-yl)-N-(6-methyl-2-pyridinyl)-1,3-thiazol-2-amine (CID 25205063) is 4-(3-methyl-1-propylpyrazol-4-yl)-N-(6-methyl-2-pyridinyl)-1,3-thiazol-2-amine.
What is the SMILES notation for 4-(3-methyl-1-propylpyrazol-4-yl)-N-(6-methyl-2-pyridinyl)-1,3-thiazol-2-amine?
The canonical SMILES for 4-(3-methyl-1-propylpyrazol-4-yl)-N-(6-methyl-2-pyridinyl)-1,3-thiazol-2-amine is CCCn1cc(-c2csc(Nc3cccc(C)n3)n2)c(C)n1.
What is the InChIKey of 4-(3-methyl-1-propylpyrazol-4-yl)-N-(6-methyl-2-pyridinyl)-1,3-thiazol-2-amine?
The InChIKey is NNSBQQQGJOPJPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N5S/c1-4-8-21-9-13(12(3)20-21)14-10-22-16(18-14)19-15-7-5-6-11(2)17-15/h5-7,9-10H,4,8H2,1-3H3,(H,17,18,19).
What are the key properties of 4-(3-methyl-1-propylpyrazol-4-yl)-N-(6-methyl-2-pyridinyl)-1,3-thiazol-2-amine?
4-(3-methyl-1-propylpyrazol-4-yl)-N-(6-methyl-2-pyridinyl)-1,3-thiazol-2-amine has a molecular weight of 313.43 g/mol, XLogP of 4.17, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methyl-1-propylpyrazol-4-yl)-N-(6-methyl-2-pyridinyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 25205063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).