[5-amino-4-(1,3-benzothiazol-2-yl)-2-(methylamino)thieno[2,3-d]pyrimidin-6-yl] carbamate

C15H12N6O2S2 — CID 68632414

IUPAC[5-amino-4-(1,3-benzothiazol-2-yl)-2-(methylamino)thieno[2,3-d]pyrimidin-6-yl] carbamate
SMILESCNc1nc(-c2nc3ccccc3s2)c2c(N)c(OC(N)=O)sc2n1
InChIInChI=1S/C15H12N6O2S2/c1-18-15-20-10(12-19-6-4-2-3-5-7(6)24-12)8-9(16)13(23-14(17)22)25-11(8)21-15/h2-5H,16H2,1H3,(H2,17,22)(H,18,20,21)
InChIKeyVRFSBWLEWNDHBI-UHFFFAOYSA-N
MW372.44 g/mol
LogP3.05
Rot. Bonds3

About [5-amino-4-(1,3-benzothiazol-2-yl)-2-(methylamino)thieno[2,3-d]pyrimidin-6-yl] carbamate

[5-amino-4-(1,3-benzothiazol-2-yl)-2-(methylamino)thieno[2,3-d]pyrimidin-6-yl] carbamate (PubChem CID 68632414) has the molecular formula C15H12N6O2S2 and a molecular weight of 372.44 g/mol. Its IUPAC name is [5-amino-4-(1,3-benzothiazol-2-yl)-2-(methylamino)thieno[2,3-d]pyrimidin-6-yl] carbamate.

Molecular Properties

Compound Name[5-amino-4-(1,3-benzothiazol-2-yl)-2-(methylamino)thieno[2,3-d]pyrimidin-6-yl] carbamate
PubChem CID68632414
Molecular FormulaC15H12N6O2S2
Molecular Weight372.44 g/mol
Exact Mass372.05
IUPAC Name[5-amino-4-(1,3-benzothiazol-2-yl)-2-(methylamino)thieno[2,3-d]pyrimidin-6-yl] carbamate
SMILESCNc1nc(-c2nc3ccccc3s2)c2c(N)c(OC(N)=O)sc2n1
InChIInChI=1S/C15H12N6O2S2/c1-18-15-20-10(12-19-6-4-2-3-5-7(6)24-12)8-9(16)13(23-14(17)22)25-11(8)21-15/h2-5H,16H2,1H3,(H2,17,22)(H,18,20,21)
InChIKeyVRFSBWLEWNDHBI-UHFFFAOYSA-N
XLogP3.05
TPSA129.04 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.44
LogP ≤ 53.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Analyze [5-amino-4-(1,3-benzothiazol-2-yl)-2-(methylamino)thieno[2,3-d]pyrimidin-6-yl] carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [5-amino-4-(1,3-benzothiazol-2-yl)-2-(methylamino)thieno[2,3-d]pyrimidin-6-yl] carbamate?
The IUPAC name of [5-amino-4-(1,3-benzothiazol-2-yl)-2-(methylamino)thieno[2,3-d]pyrimidin-6-yl] carbamate (CID 68632414) is [5-amino-4-(1,3-benzothiazol-2-yl)-2-(methylamino)thieno[2,3-d]pyrimidin-6-yl] carbamate.
What is the SMILES notation for [5-amino-4-(1,3-benzothiazol-2-yl)-2-(methylamino)thieno[2,3-d]pyrimidin-6-yl] carbamate?
The canonical SMILES for [5-amino-4-(1,3-benzothiazol-2-yl)-2-(methylamino)thieno[2,3-d]pyrimidin-6-yl] carbamate is CNc1nc(-c2nc3ccccc3s2)c2c(N)c(OC(N)=O)sc2n1.
What is the InChIKey of [5-amino-4-(1,3-benzothiazol-2-yl)-2-(methylamino)thieno[2,3-d]pyrimidin-6-yl] carbamate?
The InChIKey is VRFSBWLEWNDHBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N6O2S2/c1-18-15-20-10(12-19-6-4-2-3-5-7(6)24-12)8-9(16)13(23-14(17)22)25-11(8)21-15/h2-5H,16H2,1H3,(H2,17,22)(H,18,20,21).
What are the key properties of [5-amino-4-(1,3-benzothiazol-2-yl)-2-(methylamino)thieno[2,3-d]pyrimidin-6-yl] carbamate?
[5-amino-4-(1,3-benzothiazol-2-yl)-2-(methylamino)thieno[2,3-d]pyrimidin-6-yl] carbamate has a molecular weight of 372.44 g/mol, XLogP of 3.05, 3 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for [5-amino-4-(1,3-benzothiazol-2-yl)-2-(methylamino)thieno[2,3-d]pyrimidin-6-yl] carbamate is sourced from PubChem (CID 68632414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).