N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-(6-methyl-5-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetamide

C19H17N5OS3 — CID 28526977

IUPACN-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-(6-methyl-5-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetamide
SMILESCCc1nnc(NC(=O)CSc2ncnc3sc(C)c(-c4ccccc4)c23)s1
InChIInChI=1S/C19H17N5OS3/c1-3-14-23-24-19(28-14)22-13(25)9-26-17-16-15(12-7-5-4-6-8-12)11(2)27-18(16)21-10-20-17/h4-8,10H,3,9H2,1-2H3,(H,22,24,25)
InChIKeyMOZMWYHAKJSLBV-UHFFFAOYSA-N
MW427.58 g/mol
LogP4.81
Rot. Bonds6

About N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-(6-methyl-5-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetamide

N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-(6-methyl-5-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetamide (PubChem CID 28526977) has the molecular formula C19H17N5OS3 and a molecular weight of 427.58 g/mol. Its IUPAC name is N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-(6-methyl-5-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetamide.

Molecular Properties

Compound NameN-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-(6-methyl-5-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetamide
PubChem CID28526977
Molecular FormulaC19H17N5OS3
Molecular Weight427.58 g/mol
Exact Mass427.06
IUPAC NameN-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-(6-methyl-5-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetamide
SMILESCCc1nnc(NC(=O)CSc2ncnc3sc(C)c(-c4ccccc4)c23)s1
InChIInChI=1S/C19H17N5OS3/c1-3-14-23-24-19(28-14)22-13(25)9-26-17-16-15(12-7-5-4-6-8-12)11(2)27-18(16)21-10-20-17/h4-8,10H,3,9H2,1-2H3,(H,22,24,25)
InChIKeyMOZMWYHAKJSLBV-UHFFFAOYSA-N
XLogP4.81
TPSA80.66 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.58
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

2-(6-methyl-5-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-N-pyridin-2-ylacetamide
CID 39071522
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-(7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9,11-tetraen-12-ylsulfanyl)acetamide
CID 3184581
N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-2-(5-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetamide
CID 28526981
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-(2-methylphenyl)sulfanylacetamide
CID 4549395
2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-N-(2-methylphenyl)acetamide
CID 711233
2-anilino-N-(5-ethyl-1,3,4-thiadiazol-2-yl)acetamide
CID 103607106
N-(2,6-dimethylphenyl)-2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetamide
CID 1144552
N'-[2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetyl]-2-phenylacetohydrazide
CID 1142938
2-[(4-benzyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(5-ethyl-1,3,4-thiadiazol-2-yl)acetamide
CID 653712
2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-N-(1-phenylethyl)acetamide
CID 4131791
2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-N-[(1R)-1-phenylethyl]acetamide
CID 2377719
2-[[2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetyl]amino]-3-phenylpropanoic acid
CID 3360520

Frequently Asked Questions

What is the IUPAC name of N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-(6-methyl-5-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetamide?
The IUPAC name of N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-(6-methyl-5-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetamide (CID 28526977) is N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-(6-methyl-5-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetamide.
What is the SMILES notation for N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-(6-methyl-5-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetamide?
The canonical SMILES for N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-(6-methyl-5-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetamide is CCc1nnc(NC(=O)CSc2ncnc3sc(C)c(-c4ccccc4)c23)s1.
What is the InChIKey of N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-(6-methyl-5-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetamide?
The InChIKey is MOZMWYHAKJSLBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N5OS3/c1-3-14-23-24-19(28-14)22-13(25)9-26-17-16-15(12-7-5-4-6-8-12)11(2)27-18(16)21-10-20-17/h4-8,10H,3,9H2,1-2H3,(H,22,24,25).
What are the key properties of N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-(6-methyl-5-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetamide?
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-(6-methyl-5-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetamide has a molecular weight of 427.58 g/mol, XLogP of 4.81, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-(6-methyl-5-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetamide is sourced from PubChem (CID 28526977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).