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

C17H15N5S2 — CID 133379932

IUPAC6-ethyl-N-[(5-phenyl-1,3,4-thiadiazol-2-yl)methyl]thieno[2,3-d]pyrimidin-4-amine
SMILESCCc1cc2c(NCc3nnc(-c4ccccc4)s3)ncnc2s1
InChIInChI=1S/C17H15N5S2/c1-2-12-8-13-15(19-10-20-17(13)23-12)18-9-14-21-22-16(24-14)11-6-4-3-5-7-11/h3-8,10H,2,9H2,1H3,(H,18,19,20)
InChIKeyBRQZZLHAJLVFJM-UHFFFAOYSA-N
MW353.48 g/mol
LogP4.38
Rot. Bonds5

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

6-ethyl-N-[(5-phenyl-1,3,4-thiadiazol-2-yl)methyl]thieno[2,3-d]pyrimidin-4-amine (PubChem CID 133379932) has the molecular formula C17H15N5S2 and a molecular weight of 353.48 g/mol. Its IUPAC name is 6-ethyl-N-[(5-phenyl-1,3,4-thiadiazol-2-yl)methyl]thieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name6-ethyl-N-[(5-phenyl-1,3,4-thiadiazol-2-yl)methyl]thieno[2,3-d]pyrimidin-4-amine
PubChem CID133379932
Molecular FormulaC17H15N5S2
Molecular Weight353.48 g/mol
Exact Mass353.08
IUPAC Name6-ethyl-N-[(5-phenyl-1,3,4-thiadiazol-2-yl)methyl]thieno[2,3-d]pyrimidin-4-amine
SMILESCCc1cc2c(NCc3nnc(-c4ccccc4)s3)ncnc2s1
InChIInChI=1S/C17H15N5S2/c1-2-12-8-13-15(19-10-20-17(13)23-12)18-9-14-21-22-16(24-14)11-6-4-3-5-7-11/h3-8,10H,2,9H2,1H3,(H,18,19,20)
InChIKeyBRQZZLHAJLVFJM-UHFFFAOYSA-N
XLogP4.38
TPSA63.59 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.48
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 6-ethyl-N-[(5-phenyl-1,3,4-thiadiazol-2-yl)methyl]thieno[2,3-d]pyrimidin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-ethyl-N-(furan-2-ylmethyl)thieno[2,3-d]pyrimidin-4-amine;dihydrochloride
CID 2837436
6-ethyl-N-[(2-methyl-1,2,4-triazol-3-yl)methyl]thieno[2,3-d]pyrimidin-4-amine
CID 133332090
2-[(6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]acetic acid
CID 650309
6-methyl-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]thieno[2,3-d]pyrimidin-4-amine
CID 133409360
N-[[3-[(dimethylamino)methyl]-4-fluorophenyl]methyl]-6-ethylthieno[2,3-d]pyrimidin-4-amine
CID 133314889
2-[(6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]-N,N-dimethylacetamide
CID 31539204
3-[(6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]-2-hydroxy-2-methylpropanoic acid
CID 122061014
N-ethyl-N'-(6-ethylthieno[2,3-d]pyrimidin-4-yl)propane-1,3-diamine
CID 54906628
3-methyl-5-nitro-N-[(5-phenyl-1,3,4-thiadiazol-2-yl)methyl]pyridin-2-amine
CID 133380091
4-(6-ethylthieno[2,3-d]pyrimidin-4-yl)-N-(5-phenyl-1,3,4-thiadiazol-2-yl)piperazine-1-carboxamide
CID 21062709
N-(3-chlorobutyl)-6-ethylthieno[2,3-d]pyrimidin-4-amine
CID 65028734
N-[[3-(2,4-dichlorophenyl)-1,2-oxazol-5-yl]methyl]-6-ethylthieno[2,3-d]pyrimidin-4-amine
CID 90088078

Frequently Asked Questions

What is the IUPAC name of 6-ethyl-N-[(5-phenyl-1,3,4-thiadiazol-2-yl)methyl]thieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of 6-ethyl-N-[(5-phenyl-1,3,4-thiadiazol-2-yl)methyl]thieno[2,3-d]pyrimidin-4-amine (CID 133379932) is 6-ethyl-N-[(5-phenyl-1,3,4-thiadiazol-2-yl)methyl]thieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 6-ethyl-N-[(5-phenyl-1,3,4-thiadiazol-2-yl)methyl]thieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 6-ethyl-N-[(5-phenyl-1,3,4-thiadiazol-2-yl)methyl]thieno[2,3-d]pyrimidin-4-amine is CCc1cc2c(NCc3nnc(-c4ccccc4)s3)ncnc2s1.
What is the InChIKey of 6-ethyl-N-[(5-phenyl-1,3,4-thiadiazol-2-yl)methyl]thieno[2,3-d]pyrimidin-4-amine?
The InChIKey is BRQZZLHAJLVFJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N5S2/c1-2-12-8-13-15(19-10-20-17(13)23-12)18-9-14-21-22-16(24-14)11-6-4-3-5-7-11/h3-8,10H,2,9H2,1H3,(H,18,19,20).
What are the key properties of 6-ethyl-N-[(5-phenyl-1,3,4-thiadiazol-2-yl)methyl]thieno[2,3-d]pyrimidin-4-amine?
6-ethyl-N-[(5-phenyl-1,3,4-thiadiazol-2-yl)methyl]thieno[2,3-d]pyrimidin-4-amine has a molecular weight of 353.48 g/mol, XLogP of 4.38, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-N-[(5-phenyl-1,3,4-thiadiazol-2-yl)methyl]thieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 133379932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).