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

C12H16ClN5OS — CID 106038270

IUPAC4-chloro-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-6-propan-2-yloxy-1,3,5-triazin-2-amine
SMILESCc1nc(CCNc2nc(Cl)nc(OC(C)C)n2)cs1
InChIInChI=1S/C12H16ClN5OS/c1-7(2)19-12-17-10(13)16-11(18-12)14-5-4-9-6-20-8(3)15-9/h6-7H,4-5H2,1-3H3,(H,14,16,17,18)
InChIKeyJDNMGVKPIBPJSN-UHFFFAOYSA-N
MW313.81 g/mol
LogP2.73
Rot. Bonds6

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

4-chloro-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-6-propan-2-yloxy-1,3,5-triazin-2-amine (PubChem CID 106038270) has the molecular formula C12H16ClN5OS and a molecular weight of 313.81 g/mol. Its IUPAC name is 4-chloro-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-6-propan-2-yloxy-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-chloro-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-6-propan-2-yloxy-1,3,5-triazin-2-amine
PubChem CID106038270
Molecular FormulaC12H16ClN5OS
Molecular Weight313.81 g/mol
Exact Mass313.08
IUPAC Name4-chloro-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-6-propan-2-yloxy-1,3,5-triazin-2-amine
SMILESCc1nc(CCNc2nc(Cl)nc(OC(C)C)n2)cs1
InChIInChI=1S/C12H16ClN5OS/c1-7(2)19-12-17-10(13)16-11(18-12)14-5-4-9-6-20-8(3)15-9/h6-7H,4-5H2,1-3H3,(H,14,16,17,18)
InChIKeyJDNMGVKPIBPJSN-UHFFFAOYSA-N
XLogP2.73
TPSA72.82 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.81
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 4-chloro-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-6-propan-2-yloxy-1,3,5-triazin-2-amine with MolForge

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Related Compounds

6-chloro-2-N,2-N-dimethyl-4-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-1,3,5-triazine-2,4-diamine
CID 106038174
4-chloro-N-[2-(4-chlorophenyl)ethyl]-6-propan-2-yloxy-1,3,5-triazin-2-amine
CID 63549067
6-chloro-2-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-4-N-propyl-1,3,5-triazine-2,4-diamine
CID 80807795
4-N-ethyl-6-propan-2-yloxy-2-N-[2-(1,3-thiazol-4-yl)ethyl]-1,3,5-triazine-2,4-diamine
CID 80820066
2-(2-methyl-1,3-thiazol-4-yl)-N-(2-propan-2-yloxyethyl)ethanamine
CID 106045227
2-methyl-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]propan-1-amine
CID 60760021
4-chloro-N-[(3-methyl-1,2-oxazol-5-yl)methyl]-6-propan-2-yloxy-1,3,5-triazin-2-amine
CID 62862594
5,6-diethyl-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-1,2,4-triazin-3-amine
CID 106544157
4-methoxy-4-methyl-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]pentan-2-amine
CID 113260118
6-methyl-4-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-2-N-propylpyrimidine-2,4-diamine
CID 106041934
4-chloro-N-[(3-chlorophenyl)methyl]-6-propan-2-yloxy-1,3,5-triazin-2-amine
CID 62863657
4,6-dimethoxy-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,3,5-triazin-2-amine
CID 62859987

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-6-propan-2-yloxy-1,3,5-triazin-2-amine?
The IUPAC name of 4-chloro-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-6-propan-2-yloxy-1,3,5-triazin-2-amine (CID 106038270) is 4-chloro-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-6-propan-2-yloxy-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-chloro-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-6-propan-2-yloxy-1,3,5-triazin-2-amine?
The canonical SMILES for 4-chloro-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-6-propan-2-yloxy-1,3,5-triazin-2-amine is Cc1nc(CCNc2nc(Cl)nc(OC(C)C)n2)cs1.
What is the InChIKey of 4-chloro-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-6-propan-2-yloxy-1,3,5-triazin-2-amine?
The InChIKey is JDNMGVKPIBPJSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClN5OS/c1-7(2)19-12-17-10(13)16-11(18-12)14-5-4-9-6-20-8(3)15-9/h6-7H,4-5H2,1-3H3,(H,14,16,17,18).
What are the key properties of 4-chloro-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-6-propan-2-yloxy-1,3,5-triazin-2-amine?
4-chloro-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-6-propan-2-yloxy-1,3,5-triazin-2-amine has a molecular weight of 313.81 g/mol, XLogP of 2.73, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-6-propan-2-yloxy-1,3,5-triazin-2-amine is sourced from PubChem (CID 106038270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).