6-chloro-2-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]-4-N-propyl-1,3,5-triazine-2,4-diamine

C12H17ClN6S — CID 80843860

IUPAC6-chloro-2-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]-4-N-propyl-1,3,5-triazine-2,4-diamine
SMILESCCCNc1nc(Cl)nc(NC(C)c2nc(C)cs2)n1
InChIInChI=1S/C12H17ClN6S/c1-4-5-14-11-17-10(13)18-12(19-11)16-8(3)9-15-7(2)6-20-9/h6,8H,4-5H2,1-3H3,(H2,14,16,17,18,19)
InChIKeyNXYHUDBOOORAMF-UHFFFAOYSA-N
MW312.83 g/mol
LogP3.28
Rot. Bonds6

About 6-chloro-2-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]-4-N-propyl-1,3,5-triazine-2,4-diamine

6-chloro-2-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]-4-N-propyl-1,3,5-triazine-2,4-diamine (PubChem CID 80843860) has the molecular formula C12H17ClN6S and a molecular weight of 312.83 g/mol. Its IUPAC name is 6-chloro-2-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]-4-N-propyl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-chloro-2-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]-4-N-propyl-1,3,5-triazine-2,4-diamine
PubChem CID80843860
Molecular FormulaC12H17ClN6S
Molecular Weight312.83 g/mol
Exact Mass312.09
IUPAC Name6-chloro-2-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]-4-N-propyl-1,3,5-triazine-2,4-diamine
SMILESCCCNc1nc(Cl)nc(NC(C)c2nc(C)cs2)n1
InChIInChI=1S/C12H17ClN6S/c1-4-5-14-11-17-10(13)18-12(19-11)16-8(3)9-15-7(2)6-20-9/h6,8H,4-5H2,1-3H3,(H2,14,16,17,18,19)
InChIKeyNXYHUDBOOORAMF-UHFFFAOYSA-N
XLogP3.28
TPSA75.62 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.83
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 6-chloro-2-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]-4-N-propyl-1,3,5-triazine-2,4-diamine with MolForge

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Related Compounds

6-chloro-2-N-[1-(2-methylphenyl)ethyl]-4-N-propyl-1,3,5-triazine-2,4-diamine
CID 80783674
2-N-butan-2-yl-6-chloro-4-N-propyl-1,3,5-triazine-2,4-diamine
CID 80766369
6-chloro-2-N-pentan-2-yl-4-N-propyl-1,3,5-triazine-2,4-diamine
CID 80769646
6-chloro-2-N-[1-(3-chlorophenyl)ethyl]-4-N-propyl-1,3,5-triazine-2,4-diamine
CID 80784415
6-ethoxy-4-N-methyl-2-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]-1,3,5-triazine-2,4-diamine
CID 80843765
6-chloro-2-N-(4-methylpentan-2-yl)-4-N-propyl-1,3,5-triazine-2,4-diamine
CID 80782797
6-chloro-2-N-(3-methylpentan-2-yl)-4-N-propyl-1,3,5-triazine-2,4-diamine
CID 80803496
6-chloro-2-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-4-N-propyl-1,3,5-triazine-2,4-diamine
CID 80807795
6-chloro-4-N-propyl-2-N-(1-thiophen-2-ylpropan-2-yl)-1,3,5-triazine-2,4-diamine
CID 80829700
6-chloro-2-N-(1-methoxypropan-2-yl)-4-N-propyl-1,3,5-triazine-2,4-diamine
CID 21161219
4,6-dimethoxy-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]pyrimidin-2-amine
CID 115355155
2-[[4-chloro-6-(propylamino)-1,3,5-triazin-2-yl]amino]-3-methylbutan-1-ol
CID 80848823

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]-4-N-propyl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-chloro-2-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]-4-N-propyl-1,3,5-triazine-2,4-diamine (CID 80843860) is 6-chloro-2-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]-4-N-propyl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-chloro-2-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]-4-N-propyl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-chloro-2-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]-4-N-propyl-1,3,5-triazine-2,4-diamine is CCCNc1nc(Cl)nc(NC(C)c2nc(C)cs2)n1.
What is the InChIKey of 6-chloro-2-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]-4-N-propyl-1,3,5-triazine-2,4-diamine?
The InChIKey is NXYHUDBOOORAMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN6S/c1-4-5-14-11-17-10(13)18-12(19-11)16-8(3)9-15-7(2)6-20-9/h6,8H,4-5H2,1-3H3,(H2,14,16,17,18,19).
What are the key properties of 6-chloro-2-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]-4-N-propyl-1,3,5-triazine-2,4-diamine?
6-chloro-2-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]-4-N-propyl-1,3,5-triazine-2,4-diamine has a molecular weight of 312.83 g/mol, XLogP of 3.28, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]-4-N-propyl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 80843860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).