7-pyrimidin-5-yl-4,5,6,7-tetrahydrothieno[2,3-c]pyridine

C11H11N3S — CID 165478413

IUPAC7-pyrimidin-5-yl-4,5,6,7-tetrahydrothieno[2,3-c]pyridine
SMILESc1ncc(C2NCCc3ccsc32)cn1
InChIInChI=1S/C11H11N3S/c1-3-14-10(9-5-12-7-13-6-9)11-8(1)2-4-15-11/h2,4-7,10,14H,1,3H2
InChIKeyKVMCVFKBWCJCMI-UHFFFAOYSA-N
MW217.30 g/mol
LogP1.77
Rot. Bonds1

About 7-pyrimidin-5-yl-4,5,6,7-tetrahydrothieno[2,3-c]pyridine

7-pyrimidin-5-yl-4,5,6,7-tetrahydrothieno[2,3-c]pyridine (PubChem CID 165478413) has the molecular formula C11H11N3S and a molecular weight of 217.30 g/mol. Its IUPAC name is 7-pyrimidin-5-yl-4,5,6,7-tetrahydrothieno[2,3-c]pyridine.

Molecular Properties

Compound Name7-pyrimidin-5-yl-4,5,6,7-tetrahydrothieno[2,3-c]pyridine
PubChem CID165478413
Molecular FormulaC11H11N3S
Molecular Weight217.30 g/mol
Exact Mass217.07
IUPAC Name7-pyrimidin-5-yl-4,5,6,7-tetrahydrothieno[2,3-c]pyridine
SMILESc1ncc(C2NCCc3ccsc32)cn1
InChIInChI=1S/C11H11N3S/c1-3-14-10(9-5-12-7-13-6-9)11-8(1)2-4-15-11/h2,4-7,10,14H,1,3H2
InChIKeyKVMCVFKBWCJCMI-UHFFFAOYSA-N
XLogP1.77
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.30
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

7-(2,3-difluorophenyl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridine
CID 54276140
3-fluoro-4-(4,5,6,7-tetrahydrothieno[2,3-c]pyridin-7-yl)phenol
CID 67721864
N,N-dimethyl-1-[(7S)-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-7-yl]methanamine
CID 124604286
7-(2-cyclopropylethyl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridine
CID 165470491
7-(2-fluoro-4,5-dimethoxyphenyl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridine
CID 19959701
2-(4,5,6,7-tetrahydrothieno[2,3-c]pyridin-7-yl)acetic acid
CID 82398858
methyl (7R)-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-7-carboxylate
CID 124584496
(7S)-7-(naphthalen-2-ylmethyl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridine
CID 129391723
1-pyridin-3-yl-1,2,3,4-tetrahydro-2,7-naphthyridine
CID 83970826
ethyl 4,5,6,7-tetrahydrothieno[2,3-c]pyridine-7-carboxylate
CID 157046318
(7R)-4,5,6,7-tetrahydro-1-benzothiophen-7-amine
CID 92981428
(1R)-1-pyridin-3-yl-1,2,3,4-tetrahydroisoquinolin-6-ol
CID 93031696

Frequently Asked Questions

What is the IUPAC name of 7-pyrimidin-5-yl-4,5,6,7-tetrahydrothieno[2,3-c]pyridine?
The IUPAC name of 7-pyrimidin-5-yl-4,5,6,7-tetrahydrothieno[2,3-c]pyridine (CID 165478413) is 7-pyrimidin-5-yl-4,5,6,7-tetrahydrothieno[2,3-c]pyridine.
What is the SMILES notation for 7-pyrimidin-5-yl-4,5,6,7-tetrahydrothieno[2,3-c]pyridine?
The canonical SMILES for 7-pyrimidin-5-yl-4,5,6,7-tetrahydrothieno[2,3-c]pyridine is c1ncc(C2NCCc3ccsc32)cn1.
What is the InChIKey of 7-pyrimidin-5-yl-4,5,6,7-tetrahydrothieno[2,3-c]pyridine?
The InChIKey is KVMCVFKBWCJCMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3S/c1-3-14-10(9-5-12-7-13-6-9)11-8(1)2-4-15-11/h2,4-7,10,14H,1,3H2.
What are the key properties of 7-pyrimidin-5-yl-4,5,6,7-tetrahydrothieno[2,3-c]pyridine?
7-pyrimidin-5-yl-4,5,6,7-tetrahydrothieno[2,3-c]pyridine has a molecular weight of 217.30 g/mol, XLogP of 1.77, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-pyrimidin-5-yl-4,5,6,7-tetrahydrothieno[2,3-c]pyridine is sourced from PubChem (CID 165478413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).