2-(1,3-benzothiazol-2-ylsulfanylmethyl)thieno[2,3-d]pyrimidin-4-amine

C14H10N4S3 — CID 62187847

IUPAC2-(1,3-benzothiazol-2-ylsulfanylmethyl)thieno[2,3-d]pyrimidin-4-amine
SMILESNc1nc(CSc2nc3ccccc3s2)nc2sccc12
InChIInChI=1S/C14H10N4S3/c15-12-8-5-6-19-13(8)18-11(17-12)7-20-14-16-9-3-1-2-4-10(9)21-14/h1-6H,7H2,(H2,15,17,18)
InChIKeyFMQBGUWTVSGCMD-UHFFFAOYSA-N
MW330.46 g/mol
LogP4.18
Rot. Bonds3

About 2-(1,3-benzothiazol-2-ylsulfanylmethyl)thieno[2,3-d]pyrimidin-4-amine

2-(1,3-benzothiazol-2-ylsulfanylmethyl)thieno[2,3-d]pyrimidin-4-amine (PubChem CID 62187847) has the molecular formula C14H10N4S3 and a molecular weight of 330.46 g/mol. Its IUPAC name is 2-(1,3-benzothiazol-2-ylsulfanylmethyl)thieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name2-(1,3-benzothiazol-2-ylsulfanylmethyl)thieno[2,3-d]pyrimidin-4-amine
PubChem CID62187847
Molecular FormulaC14H10N4S3
Molecular Weight330.46 g/mol
Exact Mass330.01
IUPAC Name2-(1,3-benzothiazol-2-ylsulfanylmethyl)thieno[2,3-d]pyrimidin-4-amine
SMILESNc1nc(CSc2nc3ccccc3s2)nc2sccc12
InChIInChI=1S/C14H10N4S3/c15-12-8-5-6-19-13(8)18-11(17-12)7-20-14-16-9-3-1-2-4-10(9)21-14/h1-6H,7H2,(H2,15,17,18)
InChIKeyFMQBGUWTVSGCMD-UHFFFAOYSA-N
XLogP4.18
TPSA64.69 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.46
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-(thiophen-2-ylsulfanylmethyl)thieno[2,3-d]pyrimidin-4-amine
CID 62190130
2-[(4-fluorophenyl)sulfanylmethyl]thieno[2,3-d]pyrimidin-4-amine
CID 62187505
2-[(4-methoxyphenyl)sulfanylmethyl]thieno[2,3-d]pyrimidin-4-amine
CID 62190157
1,3-benzothiazol-2-ylsulfanylmethanethiol
CID 18616061
2-(benzimidazol-1-ylmethyl)thieno[2,3-d]pyrimidin-4-amine
CID 62209725
[2-(1,3-benzothiazol-2-ylsulfanylmethyl)phenyl]methanamine
CID 43530095
2-(1,3-benzothiazol-2-ylsulfanylmethyl)-5-chloroaniline
CID 62101103
4-(1,3-benzothiazol-2-ylsulfanylmethyl)thiadiazol-5-amine
CID 62187667
2-(furan-2-ylmethylsulfanylmethyl)thieno[2,3-d]pyrimidin-4-amine
CID 62189115
2-(1,3-benzothiazol-2-ylsulfanylmethyl)pyridin-4-amine
CID 79260065
2-(quinolin-2-ylmethylsulfanyl)-1,3-benzothiazole
CID 6919192
2-(1,3-benzothiazol-2-ylsulfanylmethyl)benzonitrile
CID 575833

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-benzothiazol-2-ylsulfanylmethyl)thieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of 2-(1,3-benzothiazol-2-ylsulfanylmethyl)thieno[2,3-d]pyrimidin-4-amine (CID 62187847) is 2-(1,3-benzothiazol-2-ylsulfanylmethyl)thieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 2-(1,3-benzothiazol-2-ylsulfanylmethyl)thieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 2-(1,3-benzothiazol-2-ylsulfanylmethyl)thieno[2,3-d]pyrimidin-4-amine is Nc1nc(CSc2nc3ccccc3s2)nc2sccc12.
What is the InChIKey of 2-(1,3-benzothiazol-2-ylsulfanylmethyl)thieno[2,3-d]pyrimidin-4-amine?
The InChIKey is FMQBGUWTVSGCMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10N4S3/c15-12-8-5-6-19-13(8)18-11(17-12)7-20-14-16-9-3-1-2-4-10(9)21-14/h1-6H,7H2,(H2,15,17,18).
What are the key properties of 2-(1,3-benzothiazol-2-ylsulfanylmethyl)thieno[2,3-d]pyrimidin-4-amine?
2-(1,3-benzothiazol-2-ylsulfanylmethyl)thieno[2,3-d]pyrimidin-4-amine has a molecular weight of 330.46 g/mol, XLogP of 4.18, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-benzothiazol-2-ylsulfanylmethyl)thieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 62187847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).