6-tert-butyl-N-[(E)-1,3-thiazol-2-ylmethylideneamino]thieno[2,3-d]pyrimidin-4-amine

C14H15N5S2 — CID 53492917

IUPAC6-tert-butyl-N-[(E)-1,3-thiazol-2-ylmethylideneamino]thieno[2,3-d]pyrimidin-4-amine
SMILESCC(C)(C)c1cc2c(N/N=C/c3nccs3)ncnc2s1
InChIInChI=1S/C14H15N5S2/c1-14(2,3)10-6-9-12(16-8-17-13(9)21-10)19-18-7-11-15-4-5-20-11/h4-8H,1-3H3,(H,16,17,19)/b18-7+
InChIKeyUQGAUIUITCUNKH-CNHKJKLMSA-N
MW317.44 g/mol
LogP3.89
Rot. Bonds3

About 6-tert-butyl-N-[(E)-1,3-thiazol-2-ylmethylideneamino]thieno[2,3-d]pyrimidin-4-amine

6-tert-butyl-N-[(E)-1,3-thiazol-2-ylmethylideneamino]thieno[2,3-d]pyrimidin-4-amine (PubChem CID 53492917) has the molecular formula C14H15N5S2 and a molecular weight of 317.44 g/mol. Its IUPAC name is 6-tert-butyl-N-[(E)-1,3-thiazol-2-ylmethylideneamino]thieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name6-tert-butyl-N-[(E)-1,3-thiazol-2-ylmethylideneamino]thieno[2,3-d]pyrimidin-4-amine
PubChem CID53492917
Molecular FormulaC14H15N5S2
Molecular Weight317.44 g/mol
Exact Mass317.08
IUPAC Name6-tert-butyl-N-[(E)-1,3-thiazol-2-ylmethylideneamino]thieno[2,3-d]pyrimidin-4-amine
SMILESCC(C)(C)c1cc2c(N/N=C/c3nccs3)ncnc2s1
InChIInChI=1S/C14H15N5S2/c1-14(2,3)10-6-9-12(16-8-17-13(9)21-10)19-18-7-11-15-4-5-20-11/h4-8H,1-3H3,(H,16,17,19)/b18-7+
InChIKeyUQGAUIUITCUNKH-CNHKJKLMSA-N
XLogP3.89
TPSA63.06 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.44
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-tert-butyl-N-[(E)-1,3-thiazol-2-ylmethylideneamino]thieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of 6-tert-butyl-N-[(E)-1,3-thiazol-2-ylmethylideneamino]thieno[2,3-d]pyrimidin-4-amine (CID 53492917) is 6-tert-butyl-N-[(E)-1,3-thiazol-2-ylmethylideneamino]thieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 6-tert-butyl-N-[(E)-1,3-thiazol-2-ylmethylideneamino]thieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 6-tert-butyl-N-[(E)-1,3-thiazol-2-ylmethylideneamino]thieno[2,3-d]pyrimidin-4-amine is CC(C)(C)c1cc2c(N/N=C/c3nccs3)ncnc2s1.
What is the InChIKey of 6-tert-butyl-N-[(E)-1,3-thiazol-2-ylmethylideneamino]thieno[2,3-d]pyrimidin-4-amine?
The InChIKey is UQGAUIUITCUNKH-CNHKJKLMSA-N. The full InChI is InChI=1S/C14H15N5S2/c1-14(2,3)10-6-9-12(16-8-17-13(9)21-10)19-18-7-11-15-4-5-20-11/h4-8H,1-3H3,(H,16,17,19)/b18-7+.
What are the key properties of 6-tert-butyl-N-[(E)-1,3-thiazol-2-ylmethylideneamino]thieno[2,3-d]pyrimidin-4-amine?
6-tert-butyl-N-[(E)-1,3-thiazol-2-ylmethylideneamino]thieno[2,3-d]pyrimidin-4-amine has a molecular weight of 317.44 g/mol, XLogP of 3.89, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butyl-N-[(E)-1,3-thiazol-2-ylmethylideneamino]thieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 53492917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).