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

C11H10ClN7S — CID 62862931

IUPAC4-chloro-6-imidazol-1-yl-N-methyl-N-(1,3-thiazol-4-ylmethyl)-1,3,5-triazin-2-amine
SMILESCN(Cc1cscn1)c1nc(Cl)nc(-n2ccnc2)n1
InChIInChI=1S/C11H10ClN7S/c1-18(4-8-5-20-7-14-8)10-15-9(12)16-11(17-10)19-3-2-13-6-19/h2-3,5-7H,4H2,1H3
InChIKeyIRDFIPLTSYMFCD-UHFFFAOYSA-N
MW307.77 g/mol
LogP1.80
Rot. Bonds4

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

4-chloro-6-imidazol-1-yl-N-methyl-N-(1,3-thiazol-4-ylmethyl)-1,3,5-triazin-2-amine (PubChem CID 62862931) has the molecular formula C11H10ClN7S and a molecular weight of 307.77 g/mol. Its IUPAC name is 4-chloro-6-imidazol-1-yl-N-methyl-N-(1,3-thiazol-4-ylmethyl)-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-chloro-6-imidazol-1-yl-N-methyl-N-(1,3-thiazol-4-ylmethyl)-1,3,5-triazin-2-amine
PubChem CID62862931
Molecular FormulaC11H10ClN7S
Molecular Weight307.77 g/mol
Exact Mass307.04
IUPAC Name4-chloro-6-imidazol-1-yl-N-methyl-N-(1,3-thiazol-4-ylmethyl)-1,3,5-triazin-2-amine
SMILESCN(Cc1cscn1)c1nc(Cl)nc(-n2ccnc2)n1
InChIInChI=1S/C11H10ClN7S/c1-18(4-8-5-20-7-14-8)10-15-9(12)16-11(17-10)19-3-2-13-6-19/h2-3,5-7H,4H2,1H3
InChIKeyIRDFIPLTSYMFCD-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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Related Compounds

6-chloro-2-N-methyl-2-N-(1,3-thiazol-4-ylmethyl)-1,3,5-triazine-2,4-diamine
CID 80814611
4-chloro-6-imidazol-1-yl-N-methyl-N-(pyridin-3-ylmethyl)-1,3,5-triazin-2-amine
CID 62864215
1-[[(4-chloro-6-imidazol-1-yl-1,3,5-triazin-2-yl)-methylamino]methyl]cyclopentan-1-ol
CID 114951004
5-[(4-chloro-6-imidazol-1-yl-1,3,5-triazin-2-yl)-methylamino]pentan-1-ol
CID 107201782
4-chloro-6-imidazol-1-yl-N-methyl-N-(2-propan-2-yloxyethyl)-1,3,5-triazin-2-amine
CID 81062236
2-chloro-4,6-di(imidazol-1-yl)-1,3,5-triazine
CID 62863486
4-chloro-N-cycloheptyl-6-imidazol-1-yl-N-methyl-1,3,5-triazin-2-amine
CID 62865097
2-[(4-chloro-6-imidazol-1-yl-1,3,5-triazin-2-yl)-ethylamino]ethanol
CID 62862670
4-chloro-6-imidazol-1-yl-N-(2-methylpropyl)-N-propan-2-yl-1,3,5-triazin-2-amine
CID 62865000
6-imidazol-1-yl-2-N-[2-(1,3-thiazol-4-yl)ethyl]-1,3,5-triazine-2,4-diamine
CID 80846392
6-bromo-2-N-methyl-2-N-(1,3-thiazol-4-ylmethyl)pyrimidine-2,4-diamine
CID 116796517
4-chloro-6-imidazol-1-yl-N-methyl-N-(2-methyloxolan-3-yl)-1,3,5-triazin-2-amine
CID 82748550

Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-imidazol-1-yl-N-methyl-N-(1,3-thiazol-4-ylmethyl)-1,3,5-triazin-2-amine?
The IUPAC name of 4-chloro-6-imidazol-1-yl-N-methyl-N-(1,3-thiazol-4-ylmethyl)-1,3,5-triazin-2-amine (CID 62862931) is 4-chloro-6-imidazol-1-yl-N-methyl-N-(1,3-thiazol-4-ylmethyl)-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-chloro-6-imidazol-1-yl-N-methyl-N-(1,3-thiazol-4-ylmethyl)-1,3,5-triazin-2-amine?
The canonical SMILES for 4-chloro-6-imidazol-1-yl-N-methyl-N-(1,3-thiazol-4-ylmethyl)-1,3,5-triazin-2-amine is CN(Cc1cscn1)c1nc(Cl)nc(-n2ccnc2)n1.
What is the InChIKey of 4-chloro-6-imidazol-1-yl-N-methyl-N-(1,3-thiazol-4-ylmethyl)-1,3,5-triazin-2-amine?
The InChIKey is IRDFIPLTSYMFCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClN7S/c1-18(4-8-5-20-7-14-8)10-15-9(12)16-11(17-10)19-3-2-13-6-19/h2-3,5-7H,4H2,1H3.
What are the key properties of 4-chloro-6-imidazol-1-yl-N-methyl-N-(1,3-thiazol-4-ylmethyl)-1,3,5-triazin-2-amine?
4-chloro-6-imidazol-1-yl-N-methyl-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-6-imidazol-1-yl-N-methyl-N-(1,3-thiazol-4-ylmethyl)-1,3,5-triazin-2-amine is sourced from PubChem (CID 62862931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).