N-methyl-4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]thieno[2,3-d]pyrimidin-2-amine

C10H9N5S3 — CID 103334519

IUPACN-methyl-4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]thieno[2,3-d]pyrimidin-2-amine
SMILESCNc1nc(Sc2nnc(C)s2)c2ccsc2n1
InChIInChI=1S/C10H9N5S3/c1-5-14-15-10(17-5)18-8-6-3-4-16-7(6)12-9(11-2)13-8/h3-4H,1-2H3,(H,11,12,13)
InChIKeyPICJJBVCSPKVLP-UHFFFAOYSA-N
MW295.42 g/mol
LogP3.04
Rot. Bonds3

About N-methyl-4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]thieno[2,3-d]pyrimidin-2-amine

N-methyl-4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]thieno[2,3-d]pyrimidin-2-amine (PubChem CID 103334519) has the molecular formula C10H9N5S3 and a molecular weight of 295.42 g/mol. Its IUPAC name is N-methyl-4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]thieno[2,3-d]pyrimidin-2-amine.

Molecular Properties

Compound NameN-methyl-4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]thieno[2,3-d]pyrimidin-2-amine
PubChem CID103334519
Molecular FormulaC10H9N5S3
Molecular Weight295.42 g/mol
Exact Mass295.00
IUPAC NameN-methyl-4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]thieno[2,3-d]pyrimidin-2-amine
SMILESCNc1nc(Sc2nnc(C)s2)c2ccsc2n1
InChIInChI=1S/C10H9N5S3/c1-5-14-15-10(17-5)18-8-6-3-4-16-7(6)12-9(11-2)13-8/h3-4H,1-2H3,(H,11,12,13)
InChIKeyPICJJBVCSPKVLP-UHFFFAOYSA-N
XLogP3.04
TPSA63.59 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.42
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze N-methyl-4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]thieno[2,3-d]pyrimidin-2-amine with MolForge

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Related Compounds

2-chloro-4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]thieno[2,3-d]pyrimidine
CID 103322977
N-methyl-4-(2-methylphenyl)sulfanylthieno[2,3-d]pyrimidin-2-amine
CID 103334534
N-methyl-4-propan-2-ylsulfanylthieno[2,3-d]pyrimidin-2-amine
CID 103334551
4-(3,4-dichlorophenyl)sulfanyl-N-methylthieno[2,3-d]pyrimidin-2-amine
CID 103335037
4-(1H-imidazol-2-ylsulfanyl)-N-methylthieno[2,3-d]pyrimidin-2-amine
CID 114001333
4-methyl-2-[2-(methylamino)thieno[2,3-d]pyrimidin-4-yl]sulfanyl-1H-pyrimidin-6-one
CID 136678147
N-methyl-4-propylsulfanylthieno[2,3-d]pyrimidin-2-amine
CID 103334188
4-(2,5-difluorophenyl)sulfanyl-N-methylthieno[2,3-d]pyrimidin-2-amine
CID 103334423
4-(3-fluorophenyl)sulfanyl-N-methylthieno[2,3-d]pyrimidin-2-amine
CID 103335232
N-ethyl-4-[(3-methyl-1,2,4-thiadiazol-5-yl)sulfanyl]thieno[2,3-d]pyrimidin-2-amine
CID 103335287
6-ethyl-N-methyl-4-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]thieno[2,3-d]pyrimidin-2-amine
CID 103335325
N-ethyl-4-(4-methylphenyl)sulfanylthieno[2,3-d]pyrimidin-2-amine
CID 103334288

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]thieno[2,3-d]pyrimidin-2-amine?
The IUPAC name of N-methyl-4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]thieno[2,3-d]pyrimidin-2-amine (CID 103334519) is N-methyl-4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]thieno[2,3-d]pyrimidin-2-amine.
What is the SMILES notation for N-methyl-4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]thieno[2,3-d]pyrimidin-2-amine?
The canonical SMILES for N-methyl-4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]thieno[2,3-d]pyrimidin-2-amine is CNc1nc(Sc2nnc(C)s2)c2ccsc2n1.
What is the InChIKey of N-methyl-4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]thieno[2,3-d]pyrimidin-2-amine?
The InChIKey is PICJJBVCSPKVLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N5S3/c1-5-14-15-10(17-5)18-8-6-3-4-16-7(6)12-9(11-2)13-8/h3-4H,1-2H3,(H,11,12,13).
What are the key properties of N-methyl-4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]thieno[2,3-d]pyrimidin-2-amine?
N-methyl-4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]thieno[2,3-d]pyrimidin-2-amine has a molecular weight of 295.42 g/mol, XLogP of 3.04, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]thieno[2,3-d]pyrimidin-2-amine is sourced from PubChem (CID 103334519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).