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

C12H18N6OS — CID 80844575

IUPAC2-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine
SMILESCc1csc(C(C)Nc2nc(N)nc(OC(C)C)n2)n1
InChIInChI=1S/C12H18N6OS/c1-6(2)19-12-17-10(13)16-11(18-12)15-8(4)9-14-7(3)5-20-9/h5-6,8H,1-4H3,(H3,13,15,16,17,18)
InChIKeyZTIIZHVMPXXMHA-UHFFFAOYSA-N
MW294.38 g/mol
LogP2.18
Rot. Bonds5

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

2-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine (PubChem CID 80844575) has the molecular formula C12H18N6OS and a molecular weight of 294.38 g/mol. Its IUPAC name is 2-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine
PubChem CID80844575
Molecular FormulaC12H18N6OS
Molecular Weight294.38 g/mol
Exact Mass294.13
IUPAC Name2-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine
SMILESCc1csc(C(C)Nc2nc(N)nc(OC(C)C)n2)n1
InChIInChI=1S/C12H18N6OS/c1-6(2)19-12-17-10(13)16-11(18-12)15-8(4)9-14-7(3)5-20-9/h5-6,8H,1-4H3,(H3,13,15,16,17,18)
InChIKeyZTIIZHVMPXXMHA-UHFFFAOYSA-N
XLogP2.18
TPSA98.84 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.38
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine (CID 80844575) is 2-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 2-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine is Cc1csc(C(C)Nc2nc(N)nc(OC(C)C)n2)n1.
What is the InChIKey of 2-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine?
The InChIKey is ZTIIZHVMPXXMHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N6OS/c1-6(2)19-12-17-10(13)16-11(18-12)15-8(4)9-14-7(3)5-20-9/h5-6,8H,1-4H3,(H3,13,15,16,17,18).
What are the key properties of 2-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine?
2-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine has a molecular weight of 294.38 g/mol, XLogP of 2.18, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 80844575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).