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

C11H10ClN7S — CID 62863763

IUPAC4-chloro-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-6-pyrazol-1-yl-1,3,5-triazin-2-amine
SMILESCc1csc(CNc2nc(Cl)nc(-n3cccn3)n2)n1
InChIInChI=1S/C11H10ClN7S/c1-7-6-20-8(15-7)5-13-10-16-9(12)17-11(18-10)19-4-2-3-14-19/h2-4,6H,5H2,1H3,(H,13,16,17,18)
InChIKeyYHAVRWLNDPUXCH-UHFFFAOYSA-N
MW307.77 g/mol
LogP2.09
Rot. Bonds4

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

4-chloro-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-6-pyrazol-1-yl-1,3,5-triazin-2-amine (PubChem CID 62863763) has the molecular formula C11H10ClN7S and a molecular weight of 307.77 g/mol. Its IUPAC name is 4-chloro-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-6-pyrazol-1-yl-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-chloro-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-6-pyrazol-1-yl-1,3,5-triazin-2-amine
PubChem CID62863763
Molecular FormulaC11H10ClN7S
Molecular Weight307.77 g/mol
Exact Mass307.04
IUPAC Name4-chloro-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-6-pyrazol-1-yl-1,3,5-triazin-2-amine
SMILESCc1csc(CNc2nc(Cl)nc(-n3cccn3)n2)n1
InChIInChI=1S/C11H10ClN7S/c1-7-6-20-8(15-7)5-13-10-16-9(12)17-11(18-10)19-4-2-3-14-19/h2-4,6H,5H2,1H3,(H,13,16,17,18)
InChIKeyYHAVRWLNDPUXCH-UHFFFAOYSA-N
XLogP2.09
TPSA81.41 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.77
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

2-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-6-pyrazol-1-yl-1,3,5-triazine-2,4-diamine
CID 80807311
4-chloro-N-[(1-methylcyclopentyl)methyl]-6-pyrazol-1-yl-1,3,5-triazin-2-amine
CID 63830003
4-chloro-N-[(1-ethylcyclopropyl)methyl]-6-pyrazol-1-yl-1,3,5-triazin-2-amine
CID 114101578
1-N-(4-chloro-6-pyrazol-1-yl-1,3,5-triazin-2-yl)-2-N,2-N-dimethylpropane-1,2-diamine
CID 62863808
3-[(4-chloro-6-pyrazol-1-yl-1,3,5-triazin-2-yl)amino]-2,2-dimethylpropan-1-ol
CID 115361922
4-chloro-N-(4-methylpentyl)-6-pyrazol-1-yl-1,3,5-triazin-2-amine
CID 63003609
N-[(4-methyl-1,3-thiazol-2-yl)methyl]pyrimidin-2-amine
CID 60706641
N-(4-chloro-6-pyrazol-1-yl-1,3,5-triazin-2-yl)-N',N',2,2-tetramethylpropane-1,3-diamine
CID 62869545
4-chloro-N-(3-methylsulfanylbutyl)-6-pyrazol-1-yl-1,3,5-triazin-2-amine
CID 113494206
2-[(4-chloro-6-pyrazol-1-yl-1,3,5-triazin-2-yl)amino]-N-ethylacetamide
CID 62863010
4-chloro-N-(3-methoxy-2-methylpropyl)-6-pyrazol-1-yl-1,3,5-triazin-2-amine
CID 55124960
3-[(4-chloro-6-pyrazol-1-yl-1,3,5-triazin-2-yl)amino]-2,2-dimethylpropanamide
CID 106279537

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-6-pyrazol-1-yl-1,3,5-triazin-2-amine?
The IUPAC name of 4-chloro-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-6-pyrazol-1-yl-1,3,5-triazin-2-amine (CID 62863763) is 4-chloro-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-6-pyrazol-1-yl-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-chloro-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-6-pyrazol-1-yl-1,3,5-triazin-2-amine?
The canonical SMILES for 4-chloro-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-6-pyrazol-1-yl-1,3,5-triazin-2-amine is Cc1csc(CNc2nc(Cl)nc(-n3cccn3)n2)n1.
What is the InChIKey of 4-chloro-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-6-pyrazol-1-yl-1,3,5-triazin-2-amine?
The InChIKey is YHAVRWLNDPUXCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClN7S/c1-7-6-20-8(15-7)5-13-10-16-9(12)17-11(18-10)19-4-2-3-14-19/h2-4,6H,5H2,1H3,(H,13,16,17,18).
What are the key properties of 4-chloro-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-6-pyrazol-1-yl-1,3,5-triazin-2-amine?
4-chloro-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-6-pyrazol-1-yl-1,3,5-triazin-2-amine has a molecular weight of 307.77 g/mol, XLogP of 2.09, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-6-pyrazol-1-yl-1,3,5-triazin-2-amine is sourced from PubChem (CID 62863763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).