6-propan-2-yl-N-(1,3-thiazol-5-ylmethylideneamino)thieno[2,3-d]pyrimidin-4-amine

C13H13N5S2 — CID 139987673

IUPAC6-propan-2-yl-N-(1,3-thiazol-5-ylmethylideneamino)thieno[2,3-d]pyrimidin-4-amine
SMILESCC(C)c1cc2c(NN=Cc3cncs3)ncnc2s1
InChIInChI=1S/C13H13N5S2/c1-8(2)11-3-10-12(15-6-16-13(10)20-11)18-17-5-9-4-14-7-19-9/h3-8H,1-2H3,(H,15,16,18)
InChIKeyAACPZYIPHCGRHK-UHFFFAOYSA-N
MW303.42 g/mol
LogP3.72
Rot. Bonds4

About 6-propan-2-yl-N-(1,3-thiazol-5-ylmethylideneamino)thieno[2,3-d]pyrimidin-4-amine

6-propan-2-yl-N-(1,3-thiazol-5-ylmethylideneamino)thieno[2,3-d]pyrimidin-4-amine (PubChem CID 139987673) has the molecular formula C13H13N5S2 and a molecular weight of 303.42 g/mol. Its IUPAC name is 6-propan-2-yl-N-(1,3-thiazol-5-ylmethylideneamino)thieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name6-propan-2-yl-N-(1,3-thiazol-5-ylmethylideneamino)thieno[2,3-d]pyrimidin-4-amine
PubChem CID139987673
Molecular FormulaC13H13N5S2
Molecular Weight303.42 g/mol
Exact Mass303.06
IUPAC Name6-propan-2-yl-N-(1,3-thiazol-5-ylmethylideneamino)thieno[2,3-d]pyrimidin-4-amine
SMILESCC(C)c1cc2c(NN=Cc3cncs3)ncnc2s1
InChIInChI=1S/C13H13N5S2/c1-8(2)11-3-10-12(15-6-16-13(10)20-11)18-17-5-9-4-14-7-19-9/h3-8H,1-2H3,(H,15,16,18)
InChIKeyAACPZYIPHCGRHK-UHFFFAOYSA-N
XLogP3.72
TPSA63.06 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.42
LogP ≤ 53.72
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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Related Compounds

N-[(2-chlorophenyl)methylideneamino]-6-propan-2-ylthieno[2,3-d]pyrimidin-4-amine
CID 139987696
2-iodo-6-methoxy-4-[[(6-propan-2-ylthieno[2,3-d]pyrimidin-4-yl)hydrazinylidene]methyl]phenol
CID 142269639
6-ethyl-N-[(Z)-thiophen-2-ylmethylideneamino]thieno[2,3-d]pyrimidin-4-amine
CID 5332196
(6-butan-2-ylthieno[2,3-d]pyrimidin-4-yl)hydrazine
CID 53493435
6-tert-butyl-N-[(2-propan-2-yl-1,3-dihydroisoindol-5-yl)methylideneamino]thieno[2,3-d]pyrimidin-4-amine
CID 75178763
6-benzyl-N-[(E)-(3-methylthiophen-2-yl)methylideneamino]thieno[2,3-d]pyrimidin-4-amine
CID 10215659
6-benzyl-N-[(E)-1,3-thiazol-2-ylmethylideneamino]thieno[2,3-d]pyrimidin-4-amine
CID 10236989
2,4-dibromo-6-[[(6-ethylthieno[2,3-d]pyrimidin-4-yl)hydrazinylidene]methyl]phenol
CID 3601514
2-[4-[2-[[4-(aminomethyl)phenyl]methylidene]hydrazinyl]thieno[2,3-d]pyrimidin-6-yl]-2-methylpropan-1-ol
CID 139987623
2-[[4-[[(6-tert-butylthieno[2,3-d]pyrimidin-4-yl)hydrazinylidene]methyl]phenyl]methyl]isoindole-1,3-dione
CID 139987704
methyl 4-[(E)-[(6-tert-butylthieno[2,3-d]pyrimidin-4-yl)hydrazinylidene]methyl]benzoate
CID 46227453
N-[[6-(aminomethyl)-2-pyridinyl]methylideneamino]-6-tert-butylthieno[2,3-d]pyrimidin-4-amine
CID 75054373

Frequently Asked Questions

What is the IUPAC name of 6-propan-2-yl-N-(1,3-thiazol-5-ylmethylideneamino)thieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of 6-propan-2-yl-N-(1,3-thiazol-5-ylmethylideneamino)thieno[2,3-d]pyrimidin-4-amine (CID 139987673) is 6-propan-2-yl-N-(1,3-thiazol-5-ylmethylideneamino)thieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 6-propan-2-yl-N-(1,3-thiazol-5-ylmethylideneamino)thieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 6-propan-2-yl-N-(1,3-thiazol-5-ylmethylideneamino)thieno[2,3-d]pyrimidin-4-amine is CC(C)c1cc2c(NN=Cc3cncs3)ncnc2s1.
What is the InChIKey of 6-propan-2-yl-N-(1,3-thiazol-5-ylmethylideneamino)thieno[2,3-d]pyrimidin-4-amine?
The InChIKey is AACPZYIPHCGRHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N5S2/c1-8(2)11-3-10-12(15-6-16-13(10)20-11)18-17-5-9-4-14-7-19-9/h3-8H,1-2H3,(H,15,16,18).
What are the key properties of 6-propan-2-yl-N-(1,3-thiazol-5-ylmethylideneamino)thieno[2,3-d]pyrimidin-4-amine?
6-propan-2-yl-N-(1,3-thiazol-5-ylmethylideneamino)thieno[2,3-d]pyrimidin-4-amine has a molecular weight of 303.42 g/mol, XLogP of 3.72, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-propan-2-yl-N-(1,3-thiazol-5-ylmethylideneamino)thieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 139987673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).