5-(5,6-dimethyl-2-pyridin-3-ylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-N-(2-methoxyethyl)-1,3,4-thiadiazol-2-amine

C18H18N6OS3 — CID 18191348

IUPAC5-(5,6-dimethyl-2-pyridin-3-ylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-N-(2-methoxyethyl)-1,3,4-thiadiazol-2-amine
SMILESCOCCNc1nnc(Sc2nc(-c3cccnc3)nc3sc(C)c(C)c23)s1
InChIInChI=1S/C18H18N6OS3/c1-10-11(2)26-15-13(10)16(22-14(21-15)12-5-4-6-19-9-12)27-18-24-23-17(28-18)20-7-8-25-3/h4-6,9H,7-8H2,1-3H3,(H,20,23)
InChIKeyYTOIBYVDPTZHJT-UHFFFAOYSA-N
MW430.58 g/mol
LogP4.43
Rot. Bonds7

About 5-(5,6-dimethyl-2-pyridin-3-ylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-N-(2-methoxyethyl)-1,3,4-thiadiazol-2-amine

5-(5,6-dimethyl-2-pyridin-3-ylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-N-(2-methoxyethyl)-1,3,4-thiadiazol-2-amine (PubChem CID 18191348) has the molecular formula C18H18N6OS3 and a molecular weight of 430.58 g/mol. Its IUPAC name is 5-(5,6-dimethyl-2-pyridin-3-ylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-N-(2-methoxyethyl)-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-(5,6-dimethyl-2-pyridin-3-ylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-N-(2-methoxyethyl)-1,3,4-thiadiazol-2-amine
PubChem CID18191348
Molecular FormulaC18H18N6OS3
Molecular Weight430.58 g/mol
Exact Mass430.07
IUPAC Name5-(5,6-dimethyl-2-pyridin-3-ylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-N-(2-methoxyethyl)-1,3,4-thiadiazol-2-amine
SMILESCOCCNc1nnc(Sc2nc(-c3cccnc3)nc3sc(C)c(C)c23)s1
InChIInChI=1S/C18H18N6OS3/c1-10-11(2)26-15-13(10)16(22-14(21-15)12-5-4-6-19-9-12)27-18-24-23-17(28-18)20-7-8-25-3/h4-6,9H,7-8H2,1-3H3,(H,20,23)
InChIKeyYTOIBYVDPTZHJT-UHFFFAOYSA-N
XLogP4.43
TPSA85.71 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.58
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(5,6-dimethyl-2-pyridin-3-ylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-N-(2-methoxyethyl)-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-(5,6-dimethyl-2-pyridin-3-ylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-N-(2-methoxyethyl)-1,3,4-thiadiazol-2-amine (CID 18191348) is 5-(5,6-dimethyl-2-pyridin-3-ylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-N-(2-methoxyethyl)-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-(5,6-dimethyl-2-pyridin-3-ylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-N-(2-methoxyethyl)-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-(5,6-dimethyl-2-pyridin-3-ylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-N-(2-methoxyethyl)-1,3,4-thiadiazol-2-amine is COCCNc1nnc(Sc2nc(-c3cccnc3)nc3sc(C)c(C)c23)s1.
What is the InChIKey of 5-(5,6-dimethyl-2-pyridin-3-ylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-N-(2-methoxyethyl)-1,3,4-thiadiazol-2-amine?
The InChIKey is YTOIBYVDPTZHJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N6OS3/c1-10-11(2)26-15-13(10)16(22-14(21-15)12-5-4-6-19-9-12)27-18-24-23-17(28-18)20-7-8-25-3/h4-6,9H,7-8H2,1-3H3,(H,20,23).
What are the key properties of 5-(5,6-dimethyl-2-pyridin-3-ylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-N-(2-methoxyethyl)-1,3,4-thiadiazol-2-amine?
5-(5,6-dimethyl-2-pyridin-3-ylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-N-(2-methoxyethyl)-1,3,4-thiadiazol-2-amine has a molecular weight of 430.58 g/mol, XLogP of 4.43, 7 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5,6-dimethyl-2-pyridin-3-ylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-N-(2-methoxyethyl)-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 18191348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).