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

C11H14ClN5S2 — CID 62867560

IUPAC4-chloro-N,N-diethyl-6-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-1,3,5-triazin-2-amine
SMILESCCN(CC)c1nc(Cl)nc(Sc2nc(C)cs2)n1
InChIInChI=1S/C11H14ClN5S2/c1-4-17(5-2)9-14-8(12)15-10(16-9)19-11-13-7(3)6-18-11/h6H,4-5H2,1-3H3
InChIKeyMNPBYVYDAXWIFR-UHFFFAOYSA-N
MW315.86 g/mol
LogP3.29
Rot. Bonds5

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

4-chloro-N,N-diethyl-6-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-1,3,5-triazin-2-amine (PubChem CID 62867560) has the molecular formula C11H14ClN5S2 and a molecular weight of 315.86 g/mol. Its IUPAC name is 4-chloro-N,N-diethyl-6-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-chloro-N,N-diethyl-6-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-1,3,5-triazin-2-amine
PubChem CID62867560
Molecular FormulaC11H14ClN5S2
Molecular Weight315.86 g/mol
Exact Mass315.04
IUPAC Name4-chloro-N,N-diethyl-6-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-1,3,5-triazin-2-amine
SMILESCCN(CC)c1nc(Cl)nc(Sc2nc(C)cs2)n1
InChIInChI=1S/C11H14ClN5S2/c1-4-17(5-2)9-14-8(12)15-10(16-9)19-11-13-7(3)6-18-11/h6H,4-5H2,1-3H3
InChIKeyMNPBYVYDAXWIFR-UHFFFAOYSA-N
XLogP3.29
TPSA54.80 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.86
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N,N-diethyl-6-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-1,3,5-triazin-2-amine?
The IUPAC name of 4-chloro-N,N-diethyl-6-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-1,3,5-triazin-2-amine (CID 62867560) is 4-chloro-N,N-diethyl-6-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-chloro-N,N-diethyl-6-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-1,3,5-triazin-2-amine?
The canonical SMILES for 4-chloro-N,N-diethyl-6-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-1,3,5-triazin-2-amine is CCN(CC)c1nc(Cl)nc(Sc2nc(C)cs2)n1.
What is the InChIKey of 4-chloro-N,N-diethyl-6-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-1,3,5-triazin-2-amine?
The InChIKey is MNPBYVYDAXWIFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClN5S2/c1-4-17(5-2)9-14-8(12)15-10(16-9)19-11-13-7(3)6-18-11/h6H,4-5H2,1-3H3.
What are the key properties of 4-chloro-N,N-diethyl-6-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-1,3,5-triazin-2-amine?
4-chloro-N,N-diethyl-6-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-1,3,5-triazin-2-amine has a molecular weight of 315.86 g/mol, XLogP of 3.29, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N,N-diethyl-6-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-1,3,5-triazin-2-amine is sourced from PubChem (CID 62867560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).