4-chloro-N,N-dimethyl-6-(1,3-thiazol-2-ylsulfanyl)-1,3,5-triazin-2-amine

C8H8ClN5S2 — CID 62866519

IUPAC4-chloro-N,N-dimethyl-6-(1,3-thiazol-2-ylsulfanyl)-1,3,5-triazin-2-amine
SMILESCN(C)c1nc(Cl)nc(Sc2nccs2)n1
InChIInChI=1S/C8H8ClN5S2/c1-14(2)6-11-5(9)12-7(13-6)16-8-10-3-4-15-8/h3-4H,1-2H3
InChIKeyBOLMGQJORAWDOE-UHFFFAOYSA-N
MW273.77 g/mol
LogP2.20
Rot. Bonds3

About 4-chloro-N,N-dimethyl-6-(1,3-thiazol-2-ylsulfanyl)-1,3,5-triazin-2-amine

4-chloro-N,N-dimethyl-6-(1,3-thiazol-2-ylsulfanyl)-1,3,5-triazin-2-amine (PubChem CID 62866519) has the molecular formula C8H8ClN5S2 and a molecular weight of 273.77 g/mol. Its IUPAC name is 4-chloro-N,N-dimethyl-6-(1,3-thiazol-2-ylsulfanyl)-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-chloro-N,N-dimethyl-6-(1,3-thiazol-2-ylsulfanyl)-1,3,5-triazin-2-amine
PubChem CID62866519
Molecular FormulaC8H8ClN5S2
Molecular Weight273.77 g/mol
Exact Mass272.99
IUPAC Name4-chloro-N,N-dimethyl-6-(1,3-thiazol-2-ylsulfanyl)-1,3,5-triazin-2-amine
SMILESCN(C)c1nc(Cl)nc(Sc2nccs2)n1
InChIInChI=1S/C8H8ClN5S2/c1-14(2)6-11-5(9)12-7(13-6)16-8-10-3-4-15-8/h3-4H,1-2H3
InChIKeyBOLMGQJORAWDOE-UHFFFAOYSA-N
XLogP2.20
TPSA54.80 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.77
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiazol_SC_A(3)', 'substructure': 'N/A'}

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Related Compounds

2-N-ethyl-2-N-[2-(1,3-thiazol-2-yl)ethyl]-1,3,5-triazine-2,4-diamine
CID 19101539
2-[4-(1,3,5-Triazin-2-yl)piperazin-1-yl]-1,3-thiazole
CID 68155851
1,3-Thiazole;1,3,5-triazine
CID 70508566
6-Methyl-1,3,5-triazine-2,4-diamine;1,3-thiazole
CID 166706614
N-(4,6-dichloro-1,3,5-triazin-2-yl)-1,3-thiazol-2-amine
CID 254037
6-chloro-2-N,4-N-bis(1,3-thiazol-2-yl)-1,3,5-triazine-2,4-diamine
CID 254045
4-N,6-N-diethyl-2-N-(1,3-thiazol-2-yl)-1,3,5-triazine-2,4,6-triamine
CID 7589456
2-N-(1,3-thiazol-2-yl)-1,3,5-triazine-2,4,6-triamine
CID 13790476
2-[3-Propyl-5-(1,3-thiazol-2-yl)-1,3,5-triazinan-1-yl]-1,3-thiazole
CID 17354888
2-[3,5-Bis(1,3-thiazol-2-yl)-1,3,5-triazinan-1-yl]ethanethiol
CID 17354893
6-[(2-amino-1,3-thiazol-5-yl)sulfanylmethyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine
CID 43249996
2-N,2-N-dimethyl-6-(1,3-thiazol-2-ylsulfanylmethyl)-1,3,5-triazine-2,4-diamine
CID 47069795

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N,N-dimethyl-6-(1,3-thiazol-2-ylsulfanyl)-1,3,5-triazin-2-amine?
The IUPAC name of 4-chloro-N,N-dimethyl-6-(1,3-thiazol-2-ylsulfanyl)-1,3,5-triazin-2-amine (CID 62866519) is 4-chloro-N,N-dimethyl-6-(1,3-thiazol-2-ylsulfanyl)-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-chloro-N,N-dimethyl-6-(1,3-thiazol-2-ylsulfanyl)-1,3,5-triazin-2-amine?
The canonical SMILES for 4-chloro-N,N-dimethyl-6-(1,3-thiazol-2-ylsulfanyl)-1,3,5-triazin-2-amine is CN(C)c1nc(Cl)nc(Sc2nccs2)n1.
What is the InChIKey of 4-chloro-N,N-dimethyl-6-(1,3-thiazol-2-ylsulfanyl)-1,3,5-triazin-2-amine?
The InChIKey is BOLMGQJORAWDOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8ClN5S2/c1-14(2)6-11-5(9)12-7(13-6)16-8-10-3-4-15-8/h3-4H,1-2H3.
What are the key properties of 4-chloro-N,N-dimethyl-6-(1,3-thiazol-2-ylsulfanyl)-1,3,5-triazin-2-amine?
4-chloro-N,N-dimethyl-6-(1,3-thiazol-2-ylsulfanyl)-1,3,5-triazin-2-amine has a molecular weight of 273.77 g/mol, XLogP of 2.20, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N,N-dimethyl-6-(1,3-thiazol-2-ylsulfanyl)-1,3,5-triazin-2-amine is sourced from PubChem (CID 62866519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).