4-(6-bromo-2,3-dihydro-1,4-thiazin-4-yl)thieno[2,3-d]pyrimidine

C10H8BrN3S2 — CID 178113205

IUPAC4-(6-bromo-2,3-dihydro-1,4-thiazin-4-yl)thieno[2,3-d]pyrimidine
SMILESBrC1=CN(c2ncnc3sccc23)CCS1
InChIInChI=1S/C10H8BrN3S2/c11-8-5-14(2-4-15-8)9-7-1-3-16-10(7)13-6-12-9/h1,3,5-6H,2,4H2
InChIKeyFQGVKEQLVWHFDZ-UHFFFAOYSA-N
MW314.23 g/mol
LogP3.44
Rot. Bonds1

About 4-(6-bromo-2,3-dihydro-1,4-thiazin-4-yl)thieno[2,3-d]pyrimidine

4-(6-bromo-2,3-dihydro-1,4-thiazin-4-yl)thieno[2,3-d]pyrimidine (PubChem CID 178113205) has the molecular formula C10H8BrN3S2 and a molecular weight of 314.23 g/mol. Its IUPAC name is 4-(6-bromo-2,3-dihydro-1,4-thiazin-4-yl)thieno[2,3-d]pyrimidine.

Molecular Properties

Compound Name4-(6-bromo-2,3-dihydro-1,4-thiazin-4-yl)thieno[2,3-d]pyrimidine
PubChem CID178113205
Molecular FormulaC10H8BrN3S2
Molecular Weight314.23 g/mol
Exact Mass312.93
IUPAC Name4-(6-bromo-2,3-dihydro-1,4-thiazin-4-yl)thieno[2,3-d]pyrimidine
SMILESBrC1=CN(c2ncnc3sccc23)CCS1
InChIInChI=1S/C10H8BrN3S2/c11-8-5-14(2-4-15-8)9-7-1-3-16-10(7)13-6-12-9/h1,3,5-6H,2,4H2
InChIKeyFQGVKEQLVWHFDZ-UHFFFAOYSA-N
XLogP3.44
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.23
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-thieno[2,3-d]pyrimidin-4-ylmorpholine
CID 2457329
4-(3-bromopyrazol-1-yl)thieno[2,3-d]pyrimidine
CID 131207505
4-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)thieno[2,3-d]pyrimidine
CID 157019262
3-methyl-1-thieno[2,3-d]pyrimidin-4-ylpyrrolidin-3-ol
CID 103725139
6-bromo-4-(6-thiophen-3-ylpyrimidin-4-yl)-2,3-dihydro-1,4-thiazine
CID 178113224
4-[3-(bromomethyl)pyrrolidin-1-yl]thieno[2,3-d]pyrimidine
CID 80679387
bis(4-thieno[2,3-d]pyrimidin-4-ylpiperazin-1-yl)methanone
CID 174973437
4-[2-(bromomethyl)piperidin-1-yl]thieno[2,3-d]pyrimidine
CID 80676014
N-methyl-N-(1-thieno[2,3-d]pyrimidin-4-ylpiperidin-4-yl)cyclopropanesulfonamide
CID 163346392
4-[3-(chloromethyl)pyrrolidin-1-yl]thieno[2,3-d]pyrimidine
CID 63390055
1-thieno[2,3-d]pyrimidin-4-ylpiperidin-3-ol
CID 18074911
4-[(5aR,9aS)-2,3,4,5,5a,6,7,8,9,9a-decahydrobenzo[b]azepin-1-yl]thieno[2,3-d]pyrimidine
CID 97255565

Frequently Asked Questions

What is the IUPAC name of 4-(6-bromo-2,3-dihydro-1,4-thiazin-4-yl)thieno[2,3-d]pyrimidine?
The IUPAC name of 4-(6-bromo-2,3-dihydro-1,4-thiazin-4-yl)thieno[2,3-d]pyrimidine (CID 178113205) is 4-(6-bromo-2,3-dihydro-1,4-thiazin-4-yl)thieno[2,3-d]pyrimidine.
What is the SMILES notation for 4-(6-bromo-2,3-dihydro-1,4-thiazin-4-yl)thieno[2,3-d]pyrimidine?
The canonical SMILES for 4-(6-bromo-2,3-dihydro-1,4-thiazin-4-yl)thieno[2,3-d]pyrimidine is BrC1=CN(c2ncnc3sccc23)CCS1.
What is the InChIKey of 4-(6-bromo-2,3-dihydro-1,4-thiazin-4-yl)thieno[2,3-d]pyrimidine?
The InChIKey is FQGVKEQLVWHFDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8BrN3S2/c11-8-5-14(2-4-15-8)9-7-1-3-16-10(7)13-6-12-9/h1,3,5-6H,2,4H2.
What are the key properties of 4-(6-bromo-2,3-dihydro-1,4-thiazin-4-yl)thieno[2,3-d]pyrimidine?
4-(6-bromo-2,3-dihydro-1,4-thiazin-4-yl)thieno[2,3-d]pyrimidine has a molecular weight of 314.23 g/mol, XLogP of 3.44, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-bromo-2,3-dihydro-1,4-thiazin-4-yl)thieno[2,3-d]pyrimidine is sourced from PubChem (CID 178113205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).