N-(1,3-benzothiazol-5-yl)-6-thiophen-2-ylthieno[2,3-d]pyrimidin-4-amine

C17H10N4S3 — CID 177378488

IUPACN-(1,3-benzothiazol-5-yl)-6-thiophen-2-ylthieno[2,3-d]pyrimidin-4-amine
SMILESc1csc(-c2cc3c(Nc4ccc5scnc5c4)ncnc3s2)c1
InChIInChI=1S/C17H10N4S3/c1-2-14(22-5-1)15-7-11-16(18-8-19-17(11)24-15)21-10-3-4-13-12(6-10)20-9-23-13/h1-9H,(H,18,19,21)
InChIKeyOZCLSNLJQSRJJM-UHFFFAOYSA-N
MW366.50 g/mol
LogP5.77
Rot. Bonds3

About N-(1,3-benzothiazol-5-yl)-6-thiophen-2-ylthieno[2,3-d]pyrimidin-4-amine

N-(1,3-benzothiazol-5-yl)-6-thiophen-2-ylthieno[2,3-d]pyrimidin-4-amine (PubChem CID 177378488) has the molecular formula C17H10N4S3 and a molecular weight of 366.50 g/mol. Its IUPAC name is N-(1,3-benzothiazol-5-yl)-6-thiophen-2-ylthieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-(1,3-benzothiazol-5-yl)-6-thiophen-2-ylthieno[2,3-d]pyrimidin-4-amine
PubChem CID177378488
Molecular FormulaC17H10N4S3
Molecular Weight366.50 g/mol
Exact Mass366.01
IUPAC NameN-(1,3-benzothiazol-5-yl)-6-thiophen-2-ylthieno[2,3-d]pyrimidin-4-amine
SMILESc1csc(-c2cc3c(Nc4ccc5scnc5c4)ncnc3s2)c1
InChIInChI=1S/C17H10N4S3/c1-2-14(22-5-1)15-7-11-16(18-8-19-17(11)24-15)21-10-3-4-13-12(6-10)20-9-23-13/h1-9H,(H,18,19,21)
InChIKeyOZCLSNLJQSRJJM-UHFFFAOYSA-N
XLogP5.77
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.50
LogP ≤ 55.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

ethane;N-(7-methoxy-6-methylquinazolin-4-yl)-1,3-benzothiazol-5-amine
CID 144534778
N-[6-(4-methyl-1,3-thiazol-2-yl)quinazolin-4-yl]-1,3-benzothiazol-5-amine
CID 177371837
N-(6-dimethylphosphoryl-7-methoxyquinazolin-4-yl)-1,3-benzothiazol-5-amine
CID 146437991
N-(4-fluorophenyl)-6-phenylthieno[2,3-d]pyrimidin-4-amine;hydrochloride
CID 44635739
N-(1,3-benzothiazol-5-yl)-2-(2,3,4,7-tetrahydro-1H-azepin-6-yl)thieno[2,3-b]pyridin-4-amine
CID 149055486
N-[7-chloro-6-(6-methoxy-2-pyridinyl)quinazolin-4-yl]-1,3-benzothiazol-5-amine
CID 177371830
N-naphthalen-2-ylthieno[2,3-d]pyrimidin-4-amine
CID 2495547
N-(1,3-benzothiazol-5-yl)-2-[(5R)-7-oxa-1-azaspiro[4.4]non-3-en-4-yl]thieno[2,3-b]pyridin-4-amine
CID 147112439
N-(1,3-benzothiazol-5-yl)-2-[(5S)-7-oxa-1-azaspiro[4.4]non-3-en-4-yl]thieno[2,3-b]pyridin-4-amine
CID 147112440
N-[6-tert-butylsulfinyl-7-(2-methylsulfonylethoxy)quinazolin-4-yl]-1,3-benzothiazol-5-amine
CID 129175550
N-(1,3-benzothiazol-5-yl)-2-(6-methyl-1-propyl-3,6-dihydro-2H-pyridin-5-yl)thieno[2,3-b]pyridin-4-amine
CID 154953282
N-(7-bromo-6-chloroquinazolin-4-yl)-1,3-benzothiazol-6-amine
CID 171089475

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzothiazol-5-yl)-6-thiophen-2-ylthieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of N-(1,3-benzothiazol-5-yl)-6-thiophen-2-ylthieno[2,3-d]pyrimidin-4-amine (CID 177378488) is N-(1,3-benzothiazol-5-yl)-6-thiophen-2-ylthieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for N-(1,3-benzothiazol-5-yl)-6-thiophen-2-ylthieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for N-(1,3-benzothiazol-5-yl)-6-thiophen-2-ylthieno[2,3-d]pyrimidin-4-amine is c1csc(-c2cc3c(Nc4ccc5scnc5c4)ncnc3s2)c1.
What is the InChIKey of N-(1,3-benzothiazol-5-yl)-6-thiophen-2-ylthieno[2,3-d]pyrimidin-4-amine?
The InChIKey is OZCLSNLJQSRJJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10N4S3/c1-2-14(22-5-1)15-7-11-16(18-8-19-17(11)24-15)21-10-3-4-13-12(6-10)20-9-23-13/h1-9H,(H,18,19,21).
What are the key properties of N-(1,3-benzothiazol-5-yl)-6-thiophen-2-ylthieno[2,3-d]pyrimidin-4-amine?
N-(1,3-benzothiazol-5-yl)-6-thiophen-2-ylthieno[2,3-d]pyrimidin-4-amine has a molecular weight of 366.50 g/mol, XLogP of 5.77, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzothiazol-5-yl)-6-thiophen-2-ylthieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 177378488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).