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

C15H21N5S — CID 63868503

IUPAC4-cycloheptyl-6-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,3,5-triazin-2-amine
SMILESCc1csc(Cc2nc(N)nc(C3CCCCCC3)n2)n1
InChIInChI=1S/C15H21N5S/c1-10-9-21-13(17-10)8-12-18-14(20-15(16)19-12)11-6-4-2-3-5-7-11/h9,11H,2-8H2,1H3,(H2,16,18,19,20)
InChIKeyPSTUIJWPEQLYDE-UHFFFAOYSA-N
MW303.43 g/mol
LogP3.25
Rot. Bonds3

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

4-cycloheptyl-6-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,3,5-triazin-2-amine (PubChem CID 63868503) has the molecular formula C15H21N5S and a molecular weight of 303.43 g/mol. Its IUPAC name is 4-cycloheptyl-6-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-cycloheptyl-6-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,3,5-triazin-2-amine
PubChem CID63868503
Molecular FormulaC15H21N5S
Molecular Weight303.43 g/mol
Exact Mass303.15
IUPAC Name4-cycloheptyl-6-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,3,5-triazin-2-amine
SMILESCc1csc(Cc2nc(N)nc(C3CCCCCC3)n2)n1
InChIInChI=1S/C15H21N5S/c1-10-9-21-13(17-10)8-12-18-14(20-15(16)19-12)11-6-4-2-3-5-7-11/h9,11H,2-8H2,1H3,(H2,16,18,19,20)
InChIKeyPSTUIJWPEQLYDE-UHFFFAOYSA-N
XLogP3.25
TPSA77.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.43
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-cycloheptyl-6-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,3,5-triazin-2-amine with MolForge

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Related Compounds

4-cyclopentyl-6-[(3,5-dimethylphenyl)methyl]-1,3,5-triazin-2-amine
CID 63867001
4-ethyl-6-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,3,5-triazin-2-amine
CID 63868028
4-cycloheptyl-6-(thiophen-2-ylmethyl)-1,3,5-triazin-2-amine
CID 63867175
4-cycloheptyl-6-(methoxymethyl)-1,3,5-triazin-2-amine
CID 63868763
4-cyclohexyl-6-(ethylsulfanylmethyl)-1,3,5-triazin-2-amine
CID 65129791
4-[(4-bromophenyl)methyl]-6-cyclohexyl-1,3,5-triazin-2-amine
CID 63868061
4-[(2-bromophenyl)methyl]-6-cyclohexyl-1,3,5-triazin-2-amine
CID 63868359
4-cyclohexyl-6-cyclopentyl-1,3,5-triazin-2-amine
CID 63868885
4-cyclopentyl-6-(methylsulfanylmethyl)-1,3,5-triazin-2-amine
CID 63867162
4-cycloheptyl-6-(pyridin-3-ylmethyl)-1,3,5-triazin-2-amine
CID 63868638
4-cyclohexyl-6-(2,2,2-trifluoroethyl)-1,3,5-triazin-2-amine
CID 63867780
5,6-dimethyl-2-[(4-methyl-1,3-thiazol-2-yl)methyl]pyrimidin-4-amine
CID 62795185

Frequently Asked Questions

What is the IUPAC name of 4-cycloheptyl-6-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,3,5-triazin-2-amine?
The IUPAC name of 4-cycloheptyl-6-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,3,5-triazin-2-amine (CID 63868503) is 4-cycloheptyl-6-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-cycloheptyl-6-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,3,5-triazin-2-amine?
The canonical SMILES for 4-cycloheptyl-6-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,3,5-triazin-2-amine is Cc1csc(Cc2nc(N)nc(C3CCCCCC3)n2)n1.
What is the InChIKey of 4-cycloheptyl-6-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,3,5-triazin-2-amine?
The InChIKey is PSTUIJWPEQLYDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5S/c1-10-9-21-13(17-10)8-12-18-14(20-15(16)19-12)11-6-4-2-3-5-7-11/h9,11H,2-8H2,1H3,(H2,16,18,19,20).
What are the key properties of 4-cycloheptyl-6-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,3,5-triazin-2-amine?
4-cycloheptyl-6-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,3,5-triazin-2-amine has a molecular weight of 303.43 g/mol, XLogP of 3.25, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cycloheptyl-6-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,3,5-triazin-2-amine is sourced from PubChem (CID 63868503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).