(2-chlorothieno[3,2-d]pyrimidin-4-yl)-thiophen-2-ylmethanone

C11H5ClN2OS2 — CID 22674463

IUPAC(2-chlorothieno[3,2-d]pyrimidin-4-yl)-thiophen-2-ylmethanone
SMILESO=C(c1cccs1)c1nc(Cl)nc2ccsc12
InChIInChI=1S/C11H5ClN2OS2/c12-11-13-6-3-5-17-10(6)8(14-11)9(15)7-2-1-4-16-7/h1-5H
InChIKeyYARHBEPEICAZAS-UHFFFAOYSA-N
MW280.76 g/mol
LogP3.64
Rot. Bonds2

About (2-chlorothieno[3,2-d]pyrimidin-4-yl)-thiophen-2-ylmethanone

(2-chlorothieno[3,2-d]pyrimidin-4-yl)-thiophen-2-ylmethanone (PubChem CID 22674463) has the molecular formula C11H5ClN2OS2 and a molecular weight of 280.76 g/mol. Its IUPAC name is (2-chlorothieno[3,2-d]pyrimidin-4-yl)-thiophen-2-ylmethanone.

Molecular Properties

Compound Name(2-chlorothieno[3,2-d]pyrimidin-4-yl)-thiophen-2-ylmethanone
PubChem CID22674463
Molecular FormulaC11H5ClN2OS2
Molecular Weight280.76 g/mol
Exact Mass279.95
IUPAC Name(2-chlorothieno[3,2-d]pyrimidin-4-yl)-thiophen-2-ylmethanone
SMILESO=C(c1cccs1)c1nc(Cl)nc2ccsc12
InChIInChI=1S/C11H5ClN2OS2/c12-11-13-6-3-5-17-10(6)8(14-11)9(15)7-2-1-4-16-7/h1-5H
InChIKeyYARHBEPEICAZAS-UHFFFAOYSA-N
XLogP3.64
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.76
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N,N-dimethyl-4-(thiophene-2-carbonyl)thieno[3,2-d]pyrimidine-2-carboxamide
CID 22674495
(2-chlorothieno[3,2-d]pyrimidin-4-yl)-(5-methylfuran-2-yl)methanone
CID 121003906
N-[2-[[4-(thiophene-2-carbonyl)thieno[3,2-d]pyrimidin-2-yl]amino]ethyl]carbamate
CID 22674399
(2-chloro-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-thiophen-2-ylmethanone
CID 25231022
methyl (2S)-1-[4-(thiophene-2-carbonyl)thieno[3,2-d]pyrimidin-2-yl]pyrrolidine-2-carboxylate
CID 23519757
1-pentyl-3-[[4-(thiophene-2-carbonyl)thieno[3,2-d]pyrimidin-2-yl]amino]urea
CID 70126675
(3-chloro-2-pyridinyl)-thiophen-2-ylmethanone
CID 103443291
(3-chlorothiophen-2-yl)-thiophen-2-ylmethanone
CID 80529755
1-cyclohexyl-3-[2-[[4-(thiophene-2-carbonyl)thieno[3,2-d]pyrimidin-2-yl]amino]ethyl]thiourea
CID 22674490
dithiophen-2-ylmethanone;2-thiophen-2-ylthiophene
CID 161486915
(2-methylthiophen-3-yl)-thiophen-2-ylmethanone
CID 102830577
isoquinolin-1-yl(thiophen-2-yl)methanone
CID 4738060

Frequently Asked Questions

What is the IUPAC name of (2-chlorothieno[3,2-d]pyrimidin-4-yl)-thiophen-2-ylmethanone?
The IUPAC name of (2-chlorothieno[3,2-d]pyrimidin-4-yl)-thiophen-2-ylmethanone (CID 22674463) is (2-chlorothieno[3,2-d]pyrimidin-4-yl)-thiophen-2-ylmethanone.
What is the SMILES notation for (2-chlorothieno[3,2-d]pyrimidin-4-yl)-thiophen-2-ylmethanone?
The canonical SMILES for (2-chlorothieno[3,2-d]pyrimidin-4-yl)-thiophen-2-ylmethanone is O=C(c1cccs1)c1nc(Cl)nc2ccsc12.
What is the InChIKey of (2-chlorothieno[3,2-d]pyrimidin-4-yl)-thiophen-2-ylmethanone?
The InChIKey is YARHBEPEICAZAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H5ClN2OS2/c12-11-13-6-3-5-17-10(6)8(14-11)9(15)7-2-1-4-16-7/h1-5H.
What are the key properties of (2-chlorothieno[3,2-d]pyrimidin-4-yl)-thiophen-2-ylmethanone?
(2-chlorothieno[3,2-d]pyrimidin-4-yl)-thiophen-2-ylmethanone has a molecular weight of 280.76 g/mol, XLogP of 3.64, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chlorothieno[3,2-d]pyrimidin-4-yl)-thiophen-2-ylmethanone is sourced from PubChem (CID 22674463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).