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

C16H19N5OS — CID 25205065

IUPACN-(2-methoxy-3-pyridinyl)-4-(3-methyl-1-propylpyrazol-4-yl)-1,3-thiazol-2-amine
SMILESCCCn1cc(-c2csc(Nc3cccnc3OC)n2)c(C)n1
InChIInChI=1S/C16H19N5OS/c1-4-8-21-9-12(11(2)20-21)14-10-23-16(19-14)18-13-6-5-7-17-15(13)22-3/h5-7,9-10H,4,8H2,1-3H3,(H,18,19)
InChIKeyYERUWCDZSJOQJR-UHFFFAOYSA-N
MW329.43 g/mol
LogP3.87
Rot. Bonds6

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

N-(2-methoxy-3-pyridinyl)-4-(3-methyl-1-propylpyrazol-4-yl)-1,3-thiazol-2-amine (PubChem CID 25205065) has the molecular formula C16H19N5OS and a molecular weight of 329.43 g/mol. Its IUPAC name is N-(2-methoxy-3-pyridinyl)-4-(3-methyl-1-propylpyrazol-4-yl)-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-(2-methoxy-3-pyridinyl)-4-(3-methyl-1-propylpyrazol-4-yl)-1,3-thiazol-2-amine
PubChem CID25205065
Molecular FormulaC16H19N5OS
Molecular Weight329.43 g/mol
Exact Mass329.13
IUPAC NameN-(2-methoxy-3-pyridinyl)-4-(3-methyl-1-propylpyrazol-4-yl)-1,3-thiazol-2-amine
SMILESCCCn1cc(-c2csc(Nc3cccnc3OC)n2)c(C)n1
InChIInChI=1S/C16H19N5OS/c1-4-8-21-9-12(11(2)20-21)14-10-23-16(19-14)18-13-6-5-7-17-15(13)22-3/h5-7,9-10H,4,8H2,1-3H3,(H,18,19)
InChIKeyYERUWCDZSJOQJR-UHFFFAOYSA-N
XLogP3.87
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.43
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(2-methoxy-3-pyridinyl)-4-(3-methyl-1-propylpyrazol-4-yl)-1,3-thiazol-2-amine?
The IUPAC name of N-(2-methoxy-3-pyridinyl)-4-(3-methyl-1-propylpyrazol-4-yl)-1,3-thiazol-2-amine (CID 25205065) is N-(2-methoxy-3-pyridinyl)-4-(3-methyl-1-propylpyrazol-4-yl)-1,3-thiazol-2-amine.
What is the SMILES notation for N-(2-methoxy-3-pyridinyl)-4-(3-methyl-1-propylpyrazol-4-yl)-1,3-thiazol-2-amine?
The canonical SMILES for N-(2-methoxy-3-pyridinyl)-4-(3-methyl-1-propylpyrazol-4-yl)-1,3-thiazol-2-amine is CCCn1cc(-c2csc(Nc3cccnc3OC)n2)c(C)n1.
What is the InChIKey of N-(2-methoxy-3-pyridinyl)-4-(3-methyl-1-propylpyrazol-4-yl)-1,3-thiazol-2-amine?
The InChIKey is YERUWCDZSJOQJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N5OS/c1-4-8-21-9-12(11(2)20-21)14-10-23-16(19-14)18-13-6-5-7-17-15(13)22-3/h5-7,9-10H,4,8H2,1-3H3,(H,18,19).
What are the key properties of N-(2-methoxy-3-pyridinyl)-4-(3-methyl-1-propylpyrazol-4-yl)-1,3-thiazol-2-amine?
N-(2-methoxy-3-pyridinyl)-4-(3-methyl-1-propylpyrazol-4-yl)-1,3-thiazol-2-amine has a molecular weight of 329.43 g/mol, XLogP of 3.87, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxy-3-pyridinyl)-4-(3-methyl-1-propylpyrazol-4-yl)-1,3-thiazol-2-amine is sourced from PubChem (CID 25205065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).