N,5-dimethyl-[1,3]thiazolo[5,4-d]pyrimidin-7-amine;(3Z,5Z)-2-methylhepta-1,3,5-triene;propane

C18H28N4S — CID 166119964

IUPACN,5-dimethyl-[1,3]thiazolo[5,4-d]pyrimidin-7-amine;(3Z,5Z)-2-methylhepta-1,3,5-triene;propane
SMILESC=C(C)/C=C\C=C/C.CCC.CNc1nc(C)nc2scnc12
InChIInChI=1S/C8H12.C7H8N4S.C3H8/c1-4-5-6-7-8(2)3;1-4-10-6(8-2)5-7(11-4)12-3-9-5;1-3-2/h4-7H,2H2,1,3H3;3H,1-2H3,(H,8,10,11);3H2,1-2H3/b5-4-,7-6-;;
InChIKeyAPZGNVJTKYLZIT-FCVIEVJZSA-N
MW332.52 g/mol
LogP5.55
Rot. Bonds3

About N,5-dimethyl-[1,3]thiazolo[5,4-d]pyrimidin-7-amine;(3Z,5Z)-2-methylhepta-1,3,5-triene;propane

N,5-dimethyl-[1,3]thiazolo[5,4-d]pyrimidin-7-amine;(3Z,5Z)-2-methylhepta-1,3,5-triene;propane (PubChem CID 166119964) has the molecular formula C18H28N4S and a molecular weight of 332.52 g/mol. Its IUPAC name is N,5-dimethyl-[1,3]thiazolo[5,4-d]pyrimidin-7-amine;(3Z,5Z)-2-methylhepta-1,3,5-triene;propane.

Molecular Properties

Compound NameN,5-dimethyl-[1,3]thiazolo[5,4-d]pyrimidin-7-amine;(3Z,5Z)-2-methylhepta-1,3,5-triene;propane
PubChem CID166119964
Molecular FormulaC18H28N4S
Molecular Weight332.52 g/mol
Exact Mass332.20
IUPAC NameN,5-dimethyl-[1,3]thiazolo[5,4-d]pyrimidin-7-amine;(3Z,5Z)-2-methylhepta-1,3,5-triene;propane
SMILESC=C(C)/C=C\C=C/C.CCC.CNc1nc(C)nc2scnc12
InChIInChI=1S/C8H12.C7H8N4S.C3H8/c1-4-5-6-7-8(2)3;1-4-10-6(8-2)5-7(11-4)12-3-9-5;1-3-2/h4-7H,2H2,1,3H3;3H,1-2H3,(H,8,10,11);3H2,1-2H3/b5-4-,7-6-;;
InChIKeyAPZGNVJTKYLZIT-FCVIEVJZSA-N
XLogP5.55
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500332.52
LogP ≤ 55.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N,5-dimethyl-[1,3]thiazolo[5,4-d]pyrimidin-7-amine;(3Z,5Z)-2-methylhepta-1,3,5-triene;propane?
The IUPAC name of N,5-dimethyl-[1,3]thiazolo[5,4-d]pyrimidin-7-amine;(3Z,5Z)-2-methylhepta-1,3,5-triene;propane (CID 166119964) is N,5-dimethyl-[1,3]thiazolo[5,4-d]pyrimidin-7-amine;(3Z,5Z)-2-methylhepta-1,3,5-triene;propane.
What is the SMILES notation for N,5-dimethyl-[1,3]thiazolo[5,4-d]pyrimidin-7-amine;(3Z,5Z)-2-methylhepta-1,3,5-triene;propane?
The canonical SMILES for N,5-dimethyl-[1,3]thiazolo[5,4-d]pyrimidin-7-amine;(3Z,5Z)-2-methylhepta-1,3,5-triene;propane is C=C(C)/C=C\C=C/C.CCC.CNc1nc(C)nc2scnc12.
What is the InChIKey of N,5-dimethyl-[1,3]thiazolo[5,4-d]pyrimidin-7-amine;(3Z,5Z)-2-methylhepta-1,3,5-triene;propane?
The InChIKey is APZGNVJTKYLZIT-FCVIEVJZSA-N. The full InChI is InChI=1S/C8H12.C7H8N4S.C3H8/c1-4-5-6-7-8(2)3;1-4-10-6(8-2)5-7(11-4)12-3-9-5;1-3-2/h4-7H,2H2,1,3H3;3H,1-2H3,(H,8,10,11);3H2,1-2H3/b5-4-,7-6-;;.
What are the key properties of N,5-dimethyl-[1,3]thiazolo[5,4-d]pyrimidin-7-amine;(3Z,5Z)-2-methylhepta-1,3,5-triene;propane?
N,5-dimethyl-[1,3]thiazolo[5,4-d]pyrimidin-7-amine;(3Z,5Z)-2-methylhepta-1,3,5-triene;propane has a molecular weight of 332.52 g/mol, XLogP of 5.55, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,5-dimethyl-[1,3]thiazolo[5,4-d]pyrimidin-7-amine;(3Z,5Z)-2-methylhepta-1,3,5-triene;propane is sourced from PubChem (CID 166119964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).