4-N-[(4-methyl-1,3-thiazol-5-yl)methyl]thieno[2,3-d]pyrimidine-2,4-diamine

C11H11N5S2 — CID 103327697

IUPAC4-N-[(4-methyl-1,3-thiazol-5-yl)methyl]thieno[2,3-d]pyrimidine-2,4-diamine
SMILESCc1ncsc1CNc1nc(N)nc2sccc12
InChIInChI=1S/C11H11N5S2/c1-6-8(18-5-14-6)4-13-9-7-2-3-17-10(7)16-11(12)15-9/h2-3,5H,4H2,1H3,(H3,12,13,15,16)
InChIKeyOQBWUEZLXQFSAB-UHFFFAOYSA-N
MW277.38 g/mol
LogP2.65
Rot. Bonds3

About 4-N-[(4-methyl-1,3-thiazol-5-yl)methyl]thieno[2,3-d]pyrimidine-2,4-diamine

4-N-[(4-methyl-1,3-thiazol-5-yl)methyl]thieno[2,3-d]pyrimidine-2,4-diamine (PubChem CID 103327697) has the molecular formula C11H11N5S2 and a molecular weight of 277.38 g/mol. Its IUPAC name is 4-N-[(4-methyl-1,3-thiazol-5-yl)methyl]thieno[2,3-d]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-[(4-methyl-1,3-thiazol-5-yl)methyl]thieno[2,3-d]pyrimidine-2,4-diamine
PubChem CID103327697
Molecular FormulaC11H11N5S2
Molecular Weight277.38 g/mol
Exact Mass277.05
IUPAC Name4-N-[(4-methyl-1,3-thiazol-5-yl)methyl]thieno[2,3-d]pyrimidine-2,4-diamine
SMILESCc1ncsc1CNc1nc(N)nc2sccc12
InChIInChI=1S/C11H11N5S2/c1-6-8(18-5-14-6)4-13-9-7-2-3-17-10(7)16-11(12)15-9/h2-3,5H,4H2,1H3,(H3,12,13,15,16)
InChIKeyOQBWUEZLXQFSAB-UHFFFAOYSA-N
XLogP2.65
TPSA76.72 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.38
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 4-N-[(4-methyl-1,3-thiazol-5-yl)methyl]thieno[2,3-d]pyrimidine-2,4-diamine with MolForge

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Related Compounds

4-N-[(5-methylpyrazin-2-yl)methyl]thieno[2,3-d]pyrimidine-2,4-diamine
CID 103327389
4-N-[(6-methyl-2-pyridinyl)methyl]thieno[2,3-d]pyrimidine-2,4-diamine
CID 103327165
4-N-benzylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103324222
4-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]thieno[2,3-d]pyrimidine-2,4-diamine
CID 103328827
4-N-propylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103324043
4-N-[(4-methyl-3-pyridinyl)methyl]thieno[2,3-d]pyrimidine-2,4-diamine
CID 103330752
4-N-[(5-ethylthiophen-2-yl)methyl]thieno[2,3-d]pyrimidine-2,4-diamine
CID 106015430
4-N-[(1-methylpyrazol-3-yl)methyl]thieno[2,3-d]pyrimidine-2,4-diamine
CID 103329463
4-N-(3-methylbutyl)thieno[2,3-d]pyrimidine-2,4-diamine
CID 103324290
4-N-[(1-methylcyclopentyl)methyl]thieno[2,3-d]pyrimidine-2,4-diamine
CID 103327918
3,5-difluoro-6-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pyridine-2,6-diamine
CID 114074457
2-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pyridine-2,3-diamine
CID 63280474

Frequently Asked Questions

What is the IUPAC name of 4-N-[(4-methyl-1,3-thiazol-5-yl)methyl]thieno[2,3-d]pyrimidine-2,4-diamine?
The IUPAC name of 4-N-[(4-methyl-1,3-thiazol-5-yl)methyl]thieno[2,3-d]pyrimidine-2,4-diamine (CID 103327697) is 4-N-[(4-methyl-1,3-thiazol-5-yl)methyl]thieno[2,3-d]pyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-[(4-methyl-1,3-thiazol-5-yl)methyl]thieno[2,3-d]pyrimidine-2,4-diamine?
The canonical SMILES for 4-N-[(4-methyl-1,3-thiazol-5-yl)methyl]thieno[2,3-d]pyrimidine-2,4-diamine is Cc1ncsc1CNc1nc(N)nc2sccc12.
What is the InChIKey of 4-N-[(4-methyl-1,3-thiazol-5-yl)methyl]thieno[2,3-d]pyrimidine-2,4-diamine?
The InChIKey is OQBWUEZLXQFSAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N5S2/c1-6-8(18-5-14-6)4-13-9-7-2-3-17-10(7)16-11(12)15-9/h2-3,5H,4H2,1H3,(H3,12,13,15,16).
What are the key properties of 4-N-[(4-methyl-1,3-thiazol-5-yl)methyl]thieno[2,3-d]pyrimidine-2,4-diamine?
4-N-[(4-methyl-1,3-thiazol-5-yl)methyl]thieno[2,3-d]pyrimidine-2,4-diamine has a molecular weight of 277.38 g/mol, XLogP of 2.65, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[(4-methyl-1,3-thiazol-5-yl)methyl]thieno[2,3-d]pyrimidine-2,4-diamine is sourced from PubChem (CID 103327697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).