1-[5-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylmethyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine

C16H19N5OS2 — CID 120856655

IUPAC1-[5-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylmethyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine
SMILESCc1sc2ncnc(SCc3nc(C4(N)CCCC4)no3)c2c1C
InChIInChI=1S/C16H19N5OS2/c1-9-10(2)24-14-12(9)13(18-8-19-14)23-7-11-20-15(21-22-11)16(17)5-3-4-6-16/h8H,3-7,17H2,1-2H3
InChIKeyLHDMKUHKYLZYHX-UHFFFAOYSA-N
MW361.50 g/mol
LogP3.71
Rot. Bonds4

About 1-[5-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylmethyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine

1-[5-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylmethyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine (PubChem CID 120856655) has the molecular formula C16H19N5OS2 and a molecular weight of 361.50 g/mol. Its IUPAC name is 1-[5-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylmethyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine.

Molecular Properties

Compound Name1-[5-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylmethyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine
PubChem CID120856655
Molecular FormulaC16H19N5OS2
Molecular Weight361.50 g/mol
Exact Mass361.10
IUPAC Name1-[5-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylmethyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine
SMILESCc1sc2ncnc(SCc3nc(C4(N)CCCC4)no3)c2c1C
InChIInChI=1S/C16H19N5OS2/c1-9-10(2)24-14-12(9)13(18-8-19-14)23-7-11-20-15(21-22-11)16(17)5-3-4-6-16/h8H,3-7,17H2,1-2H3
InChIKeyLHDMKUHKYLZYHX-UHFFFAOYSA-N
XLogP3.71
TPSA90.72 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.50
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 1-[5-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylmethyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-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

1-[5-[1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-yl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride
CID 120853281
3-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylmethyl]-5-propan-2-yl-1,2,4-oxadiazole
CID 47069693
1-[5-[1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-yl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine
CID 120861252
2-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylmethyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine
CID 24557845
1-[5-(phenylsulfanylmethyl)-1,2,4-oxadiazol-3-yl]cycloheptan-1-amine
CID 79212212
1-[5-(pyridin-4-ylsulfanylmethyl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride
CID 120850989
1-[5-[(4-ethoxyphenyl)sulfanylmethyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride
CID 120851174
2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylethanol
CID 43384938
5-[2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylethyl]-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole;hydrochloride
CID 120959312
[2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] 2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetate
CID 7212253
2-[[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]acetamide;hydrochloride
CID 120855032
4-(5-ethyl-1,2,4-oxadiazol-3-yl)thian-4-amine
CID 61339130

Frequently Asked Questions

What is the IUPAC name of 1-[5-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylmethyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine?
The IUPAC name of 1-[5-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylmethyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine (CID 120856655) is 1-[5-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylmethyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine.
What is the SMILES notation for 1-[5-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylmethyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine?
The canonical SMILES for 1-[5-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylmethyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine is Cc1sc2ncnc(SCc3nc(C4(N)CCCC4)no3)c2c1C.
What is the InChIKey of 1-[5-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylmethyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine?
The InChIKey is LHDMKUHKYLZYHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N5OS2/c1-9-10(2)24-14-12(9)13(18-8-19-14)23-7-11-20-15(21-22-11)16(17)5-3-4-6-16/h8H,3-7,17H2,1-2H3.
What are the key properties of 1-[5-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylmethyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine?
1-[5-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylmethyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine has a molecular weight of 361.50 g/mol, XLogP of 3.71, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylmethyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine is sourced from PubChem (CID 120856655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).