N-(6-methoxy-2-pyridinyl)-5-methyl-4-(1H-pyrazol-4-yl)-1,3-thiazol-2-amine

C13H13N5OS — CID 42646461

IUPACN-(6-methoxy-2-pyridinyl)-5-methyl-4-(1H-pyrazol-4-yl)-1,3-thiazol-2-amine
SMILESCOc1cccc(Nc2nc(-c3cn[nH]c3)c(C)s2)n1
InChIInChI=1S/C13H13N5OS/c1-8-12(9-6-14-15-7-9)18-13(20-8)17-10-4-3-5-11(16-10)19-2/h3-7H,1-2H3,(H,14,15)(H,16,17,18)
InChIKeyGQGIURUOEDNZSW-UHFFFAOYSA-N
MW287.35 g/mol
LogP2.99
Rot. Bonds4

About N-(6-methoxy-2-pyridinyl)-5-methyl-4-(1H-pyrazol-4-yl)-1,3-thiazol-2-amine

N-(6-methoxy-2-pyridinyl)-5-methyl-4-(1H-pyrazol-4-yl)-1,3-thiazol-2-amine (PubChem CID 42646461) has the molecular formula C13H13N5OS and a molecular weight of 287.35 g/mol. Its IUPAC name is N-(6-methoxy-2-pyridinyl)-5-methyl-4-(1H-pyrazol-4-yl)-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-(6-methoxy-2-pyridinyl)-5-methyl-4-(1H-pyrazol-4-yl)-1,3-thiazol-2-amine
PubChem CID42646461
Molecular FormulaC13H13N5OS
Molecular Weight287.35 g/mol
Exact Mass287.08
IUPAC NameN-(6-methoxy-2-pyridinyl)-5-methyl-4-(1H-pyrazol-4-yl)-1,3-thiazol-2-amine
SMILESCOc1cccc(Nc2nc(-c3cn[nH]c3)c(C)s2)n1
InChIInChI=1S/C13H13N5OS/c1-8-12(9-6-14-15-7-9)18-13(20-8)17-10-4-3-5-11(16-10)19-2/h3-7H,1-2H3,(H,14,15)(H,16,17,18)
InChIKeyGQGIURUOEDNZSW-UHFFFAOYSA-N
XLogP2.99
TPSA75.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.35
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(6-methoxy-2-pyridinyl)-5-methyl-4-(1H-pyrazol-4-yl)-1,3-thiazol-2-amine?
The IUPAC name of N-(6-methoxy-2-pyridinyl)-5-methyl-4-(1H-pyrazol-4-yl)-1,3-thiazol-2-amine (CID 42646461) is N-(6-methoxy-2-pyridinyl)-5-methyl-4-(1H-pyrazol-4-yl)-1,3-thiazol-2-amine.
What is the SMILES notation for N-(6-methoxy-2-pyridinyl)-5-methyl-4-(1H-pyrazol-4-yl)-1,3-thiazol-2-amine?
The canonical SMILES for N-(6-methoxy-2-pyridinyl)-5-methyl-4-(1H-pyrazol-4-yl)-1,3-thiazol-2-amine is COc1cccc(Nc2nc(-c3cn[nH]c3)c(C)s2)n1.
What is the InChIKey of N-(6-methoxy-2-pyridinyl)-5-methyl-4-(1H-pyrazol-4-yl)-1,3-thiazol-2-amine?
The InChIKey is GQGIURUOEDNZSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N5OS/c1-8-12(9-6-14-15-7-9)18-13(20-8)17-10-4-3-5-11(16-10)19-2/h3-7H,1-2H3,(H,14,15)(H,16,17,18).
What are the key properties of N-(6-methoxy-2-pyridinyl)-5-methyl-4-(1H-pyrazol-4-yl)-1,3-thiazol-2-amine?
N-(6-methoxy-2-pyridinyl)-5-methyl-4-(1H-pyrazol-4-yl)-1,3-thiazol-2-amine has a molecular weight of 287.35 g/mol, XLogP of 2.99, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-methoxy-2-pyridinyl)-5-methyl-4-(1H-pyrazol-4-yl)-1,3-thiazol-2-amine is sourced from PubChem (CID 42646461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).