4-chloro-2-(1,3-thiazol-2-yl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidine

C10H8ClN3OS — CID 106470826

IUPAC4-chloro-2-(1,3-thiazol-2-yl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidine
SMILESClc1nc(-c2nccs2)nc2c1COCC2
InChIInChI=1S/C10H8ClN3OS/c11-8-6-5-15-3-1-7(6)13-9(14-8)10-12-2-4-16-10/h2,4H,1,3,5H2
InChIKeyNLNGAVOELDAFHY-UHFFFAOYSA-N
MW253.71 g/mol
LogP2.33
Rot. Bonds1

About 4-chloro-2-(1,3-thiazol-2-yl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidine

4-chloro-2-(1,3-thiazol-2-yl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidine (PubChem CID 106470826) has the molecular formula C10H8ClN3OS and a molecular weight of 253.71 g/mol. Its IUPAC name is 4-chloro-2-(1,3-thiazol-2-yl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidine.

Molecular Properties

Compound Name4-chloro-2-(1,3-thiazol-2-yl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidine
PubChem CID106470826
Molecular FormulaC10H8ClN3OS
Molecular Weight253.71 g/mol
Exact Mass253.01
IUPAC Name4-chloro-2-(1,3-thiazol-2-yl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidine
SMILESClc1nc(-c2nccs2)nc2c1COCC2
InChIInChI=1S/C10H8ClN3OS/c11-8-6-5-15-3-1-7(6)13-9(14-8)10-12-2-4-16-10/h2,4H,1,3,5H2
InChIKeyNLNGAVOELDAFHY-UHFFFAOYSA-N
XLogP2.33
TPSA47.90 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.71
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 4-chloro-2-(1,3-thiazol-2-yl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidine with MolForge

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Launch Full Analysis

Related Compounds

4-chloro-2-pyrimidin-2-yl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidine
CID 106470646
4-chloro-2-(4-methyl-1,3-thiazol-2-yl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidine
CID 106470756
N-propyl-2-(1,3-thiazol-2-yl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine
CID 106472650
4-chloro-2-(1H-1,2,4-triazol-5-yl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidine
CID 106470587
4-chloro-2-quinolin-4-yl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidine
CID 106470805
4-chloro-2-(2,4-dichlorophenyl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidine
CID 106470760
4-chloro-2-(4-ethoxyphenyl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidine
CID 106470799
4-chloro-2-quinolin-2-yl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidine
CID 106470570
4-chloro-2-(4-ethylsulfanylphenyl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidine
CID 106847815
4-chloro-2-isoquinolin-4-yl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidine
CID 106470837
4-chloro-2-cyclobutyl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidine
CID 106470620
4-chloro-2-(oxan-4-yl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidine
CID 106470680

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(1,3-thiazol-2-yl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidine?
The IUPAC name of 4-chloro-2-(1,3-thiazol-2-yl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidine (CID 106470826) is 4-chloro-2-(1,3-thiazol-2-yl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidine.
What is the SMILES notation for 4-chloro-2-(1,3-thiazol-2-yl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidine?
The canonical SMILES for 4-chloro-2-(1,3-thiazol-2-yl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidine is Clc1nc(-c2nccs2)nc2c1COCC2.
What is the InChIKey of 4-chloro-2-(1,3-thiazol-2-yl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidine?
The InChIKey is NLNGAVOELDAFHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8ClN3OS/c11-8-6-5-15-3-1-7(6)13-9(14-8)10-12-2-4-16-10/h2,4H,1,3,5H2.
What are the key properties of 4-chloro-2-(1,3-thiazol-2-yl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidine?
4-chloro-2-(1,3-thiazol-2-yl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidine has a molecular weight of 253.71 g/mol, XLogP of 2.33, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(1,3-thiazol-2-yl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidine is sourced from PubChem (CID 106470826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).