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

C12H16ClN5OS — CID 63838044

IUPAC4-chloro-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-6-propoxy-1,3,5-triazin-2-amine
SMILESCCCOc1nc(Cl)nc(N(C)Cc2scnc2C)n1
InChIInChI=1S/C12H16ClN5OS/c1-4-5-19-12-16-10(13)15-11(17-12)18(3)6-9-8(2)14-7-20-9/h7H,4-6H2,1-3H3
InChIKeyUTJWCOGKWSKGQE-UHFFFAOYSA-N
MW313.81 g/mol
LogP2.72
Rot. Bonds6

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

4-chloro-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-6-propoxy-1,3,5-triazin-2-amine (PubChem CID 63838044) has the molecular formula C12H16ClN5OS and a molecular weight of 313.81 g/mol. Its IUPAC name is 4-chloro-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-6-propoxy-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-chloro-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-6-propoxy-1,3,5-triazin-2-amine
PubChem CID63838044
Molecular FormulaC12H16ClN5OS
Molecular Weight313.81 g/mol
Exact Mass313.08
IUPAC Name4-chloro-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-6-propoxy-1,3,5-triazin-2-amine
SMILESCCCOc1nc(Cl)nc(N(C)Cc2scnc2C)n1
InChIInChI=1S/C12H16ClN5OS/c1-4-5-19-12-16-10(13)15-11(17-12)18(3)6-9-8(2)14-7-20-9/h7H,4-6H2,1-3H3
InChIKeyUTJWCOGKWSKGQE-UHFFFAOYSA-N
XLogP2.72
TPSA64.03 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.81
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

4-chloro-N-methyl-N-[(4-methylphenyl)methyl]-6-propoxy-1,3,5-triazin-2-amine
CID 62868348
4-chloro-N-methyl-N-[(2-methylphenyl)methyl]-6-propoxy-1,3,5-triazin-2-amine
CID 62864242
1-[(4-chloro-6-propoxy-1,3,5-triazin-2-yl)-methylamino]-2-methylpropan-2-ol
CID 79386092
2-N,4-N,4-N-trimethyl-2-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-1,3,5-triazine-2,4,6-triamine
CID 80839437
3-[(4-chloro-6-propoxy-1,3,5-triazin-2-yl)oxy]-N,N-dimethylpropan-1-amine
CID 62870340
2-[(4-chloro-6-propoxy-1,3,5-triazin-2-yl)oxy]-N,N-dimethylethanamine
CID 62868290
4-N-methyl-2-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-6-propoxy-1,3,5-triazine-2,4-diamine
CID 80829677
2-[(4-chloro-6-propoxy-1,3,5-triazin-2-yl)-methylamino]-N-propan-2-ylacetamide
CID 62863611
4-chloro-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]-6-propoxy-1,3,5-triazin-2-amine
CID 79315410
2-chloro-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-6-(trifluoromethyl)pyrimidin-4-amine
CID 114562642
4-(aminomethyl)-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrimidin-2-amine
CID 107542037
3-[(4-chloro-6-propoxy-1,3,5-triazin-2-yl)oxy]propan-1-ol
CID 62870657

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-6-propoxy-1,3,5-triazin-2-amine?
The IUPAC name of 4-chloro-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-6-propoxy-1,3,5-triazin-2-amine (CID 63838044) is 4-chloro-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-6-propoxy-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-chloro-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-6-propoxy-1,3,5-triazin-2-amine?
The canonical SMILES for 4-chloro-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-6-propoxy-1,3,5-triazin-2-amine is CCCOc1nc(Cl)nc(N(C)Cc2scnc2C)n1.
What is the InChIKey of 4-chloro-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-6-propoxy-1,3,5-triazin-2-amine?
The InChIKey is UTJWCOGKWSKGQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClN5OS/c1-4-5-19-12-16-10(13)15-11(17-12)18(3)6-9-8(2)14-7-20-9/h7H,4-6H2,1-3H3.
What are the key properties of 4-chloro-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-6-propoxy-1,3,5-triazin-2-amine?
4-chloro-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-6-propoxy-1,3,5-triazin-2-amine has a molecular weight of 313.81 g/mol, XLogP of 2.72, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-6-propoxy-1,3,5-triazin-2-amine is sourced from PubChem (CID 63838044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).