4-chloro-2-thiophen-3-ylthieno[3,2-d]pyrimidine

C10H5ClN2S2 — CID 130535740

IUPAC4-chloro-2-thiophen-3-ylthieno[3,2-d]pyrimidine
SMILESClc1nc(-c2ccsc2)nc2ccsc12
InChIInChI=1S/C10H5ClN2S2/c11-9-8-7(2-4-15-8)12-10(13-9)6-1-3-14-5-6/h1-5H
InChIKeyHNCDNCXCVOJVKA-UHFFFAOYSA-N
MW252.75 g/mol
LogP4.07
Rot. Bonds1

About 4-chloro-2-thiophen-3-ylthieno[3,2-d]pyrimidine

4-chloro-2-thiophen-3-ylthieno[3,2-d]pyrimidine (PubChem CID 130535740) has the molecular formula C10H5ClN2S2 and a molecular weight of 252.75 g/mol. Its IUPAC name is 4-chloro-2-thiophen-3-ylthieno[3,2-d]pyrimidine.

Molecular Properties

Compound Name4-chloro-2-thiophen-3-ylthieno[3,2-d]pyrimidine
PubChem CID130535740
Molecular FormulaC10H5ClN2S2
Molecular Weight252.75 g/mol
Exact Mass251.96
IUPAC Name4-chloro-2-thiophen-3-ylthieno[3,2-d]pyrimidine
SMILESClc1nc(-c2ccsc2)nc2ccsc12
InChIInChI=1S/C10H5ClN2S2/c11-9-8-7(2-4-15-8)12-10(13-9)6-1-3-14-5-6/h1-5H
InChIKeyHNCDNCXCVOJVKA-UHFFFAOYSA-N
XLogP4.07
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.75
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-2-thiophen-3-ylquinazoline
CID 9291133
7-bromo-4-chloro-2-thiophen-3-ylquinazoline
CID 114590494
4,6-dichloro-5-(4-fluorophenyl)-2-thiophen-3-ylpyrimidine
CID 79438292
4-chloro-2-(furan-2-yl)thieno[3,2-d]pyrimidine
CID 119089879
4-tert-butyl-6-chloro-5-iodo-2-thiophen-3-ylpyrimidine
CID 66294614
5-(2-bromophenyl)-4,6-dichloro-2-thiophen-3-ylpyrimidine
CID 79438940
4-chloro-6-pyrrolidin-1-yl-2-thiophen-3-ylquinazoline
CID 114591349
4-chloro-6-cyclopropyl-5-iodo-2-thiophen-3-ylpyrimidine
CID 66293487
8-bromo-4-chloro-2-thiophen-3-ylquinazoline
CID 114590763
4,5-di(thiophen-3-yl)thieno[3,2-g][1]benzothiole
CID 102164796
3-thiophen-3-yl-1,2,4-benzotriazine
CID 54072870
(2-thiophen-3-ylthieno[2,3-d]pyrimidin-4-yl)hydrazine
CID 62251574

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-thiophen-3-ylthieno[3,2-d]pyrimidine?
The IUPAC name of 4-chloro-2-thiophen-3-ylthieno[3,2-d]pyrimidine (CID 130535740) is 4-chloro-2-thiophen-3-ylthieno[3,2-d]pyrimidine.
What is the SMILES notation for 4-chloro-2-thiophen-3-ylthieno[3,2-d]pyrimidine?
The canonical SMILES for 4-chloro-2-thiophen-3-ylthieno[3,2-d]pyrimidine is Clc1nc(-c2ccsc2)nc2ccsc12.
What is the InChIKey of 4-chloro-2-thiophen-3-ylthieno[3,2-d]pyrimidine?
The InChIKey is HNCDNCXCVOJVKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H5ClN2S2/c11-9-8-7(2-4-15-8)12-10(13-9)6-1-3-14-5-6/h1-5H.
What are the key properties of 4-chloro-2-thiophen-3-ylthieno[3,2-d]pyrimidine?
4-chloro-2-thiophen-3-ylthieno[3,2-d]pyrimidine has a molecular weight of 252.75 g/mol, XLogP of 4.07, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-thiophen-3-ylthieno[3,2-d]pyrimidine is sourced from PubChem (CID 130535740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).