N-cyclohexyl-2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-N-methylacetamide

C17H23N3OS2 — CID 865963

IUPACN-cyclohexyl-2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-N-methylacetamide
SMILESCc1sc2ncnc(SCC(=O)N(C)C3CCCCC3)c2c1C
InChIInChI=1S/C17H23N3OS2/c1-11-12(2)23-17-15(11)16(18-10-19-17)22-9-14(21)20(3)13-7-5-4-6-8-13/h10,13H,4-9H2,1-3H3
InChIKeyMQRMBLZPEFHXRT-UHFFFAOYSA-N
MW349.53 g/mol
LogP4.19
Rot. Bonds4

About N-cyclohexyl-2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-N-methylacetamide

N-cyclohexyl-2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-N-methylacetamide (PubChem CID 865963) has the molecular formula C17H23N3OS2 and a molecular weight of 349.53 g/mol. Its IUPAC name is N-cyclohexyl-2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-N-methylacetamide.

Molecular Properties

Compound NameN-cyclohexyl-2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-N-methylacetamide
PubChem CID865963
Molecular FormulaC17H23N3OS2
Molecular Weight349.53 g/mol
Exact Mass349.13
IUPAC NameN-cyclohexyl-2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-N-methylacetamide
SMILESCc1sc2ncnc(SCC(=O)N(C)C3CCCCC3)c2c1C
InChIInChI=1S/C17H23N3OS2/c1-11-12(2)23-17-15(11)16(18-10-19-17)22-9-14(21)20(3)13-7-5-4-6-8-13/h10,13H,4-9H2,1-3H3
InChIKeyMQRMBLZPEFHXRT-UHFFFAOYSA-N
XLogP4.19
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.53
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze N-cyclohexyl-2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-N-methylacetamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-N-methylacetamide?
The IUPAC name of N-cyclohexyl-2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-N-methylacetamide (CID 865963) is N-cyclohexyl-2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-N-methylacetamide.
What is the SMILES notation for N-cyclohexyl-2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-N-methylacetamide?
The canonical SMILES for N-cyclohexyl-2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-N-methylacetamide is Cc1sc2ncnc(SCC(=O)N(C)C3CCCCC3)c2c1C.
What is the InChIKey of N-cyclohexyl-2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-N-methylacetamide?
The InChIKey is MQRMBLZPEFHXRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3OS2/c1-11-12(2)23-17-15(11)16(18-10-19-17)22-9-14(21)20(3)13-7-5-4-6-8-13/h10,13H,4-9H2,1-3H3.
What are the key properties of N-cyclohexyl-2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-N-methylacetamide?
N-cyclohexyl-2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-N-methylacetamide has a molecular weight of 349.53 g/mol, XLogP of 4.19, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-N-methylacetamide is sourced from PubChem (CID 865963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).