4-chloro-N-methyl-6-pyrazol-1-yl-N-(1,3-thiazol-4-ylmethyl)-1,3,5-triazin-2-amine

C11H10ClN7S — CID 62862930

IUPAC4-chloro-N-methyl-6-pyrazol-1-yl-N-(1,3-thiazol-4-ylmethyl)-1,3,5-triazin-2-amine
SMILESCN(Cc1cscn1)c1nc(Cl)nc(-n2cccn2)n1
InChIInChI=1S/C11H10ClN7S/c1-18(5-8-6-20-7-13-8)10-15-9(12)16-11(17-10)19-4-2-3-14-19/h2-4,6-7H,5H2,1H3
InChIKeyWYDSXHQBLGJNOQ-UHFFFAOYSA-N
MW307.77 g/mol
LogP1.80
Rot. Bonds4

About 4-chloro-N-methyl-6-pyrazol-1-yl-N-(1,3-thiazol-4-ylmethyl)-1,3,5-triazin-2-amine

4-chloro-N-methyl-6-pyrazol-1-yl-N-(1,3-thiazol-4-ylmethyl)-1,3,5-triazin-2-amine (PubChem CID 62862930) has the molecular formula C11H10ClN7S and a molecular weight of 307.77 g/mol. Its IUPAC name is 4-chloro-N-methyl-6-pyrazol-1-yl-N-(1,3-thiazol-4-ylmethyl)-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-chloro-N-methyl-6-pyrazol-1-yl-N-(1,3-thiazol-4-ylmethyl)-1,3,5-triazin-2-amine
PubChem CID62862930
Molecular FormulaC11H10ClN7S
Molecular Weight307.77 g/mol
Exact Mass307.04
IUPAC Name4-chloro-N-methyl-6-pyrazol-1-yl-N-(1,3-thiazol-4-ylmethyl)-1,3,5-triazin-2-amine
SMILESCN(Cc1cscn1)c1nc(Cl)nc(-n2cccn2)n1
InChIInChI=1S/C11H10ClN7S/c1-18(5-8-6-20-7-13-8)10-15-9(12)16-11(17-10)19-4-2-3-14-19/h2-4,6-7H,5H2,1H3
InChIKeyWYDSXHQBLGJNOQ-UHFFFAOYSA-N
XLogP1.80
TPSA72.62 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.77
LogP ≤ 51.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-methyl-6-pyrazol-1-yl-N-(1,3-thiazol-4-ylmethyl)-1,3,5-triazin-2-amine?
The IUPAC name of 4-chloro-N-methyl-6-pyrazol-1-yl-N-(1,3-thiazol-4-ylmethyl)-1,3,5-triazin-2-amine (CID 62862930) is 4-chloro-N-methyl-6-pyrazol-1-yl-N-(1,3-thiazol-4-ylmethyl)-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-chloro-N-methyl-6-pyrazol-1-yl-N-(1,3-thiazol-4-ylmethyl)-1,3,5-triazin-2-amine?
The canonical SMILES for 4-chloro-N-methyl-6-pyrazol-1-yl-N-(1,3-thiazol-4-ylmethyl)-1,3,5-triazin-2-amine is CN(Cc1cscn1)c1nc(Cl)nc(-n2cccn2)n1.
What is the InChIKey of 4-chloro-N-methyl-6-pyrazol-1-yl-N-(1,3-thiazol-4-ylmethyl)-1,3,5-triazin-2-amine?
The InChIKey is WYDSXHQBLGJNOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClN7S/c1-18(5-8-6-20-7-13-8)10-15-9(12)16-11(17-10)19-4-2-3-14-19/h2-4,6-7H,5H2,1H3.
What are the key properties of 4-chloro-N-methyl-6-pyrazol-1-yl-N-(1,3-thiazol-4-ylmethyl)-1,3,5-triazin-2-amine?
4-chloro-N-methyl-6-pyrazol-1-yl-N-(1,3-thiazol-4-ylmethyl)-1,3,5-triazin-2-amine has a molecular weight of 307.77 g/mol, XLogP of 1.80, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-methyl-6-pyrazol-1-yl-N-(1,3-thiazol-4-ylmethyl)-1,3,5-triazin-2-amine is sourced from PubChem (CID 62862930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).