7-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one

C16H13ClN4OS — CID 166329755

IUPAC7-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
SMILESO=c1[nH]cnc2c1CCN(c1nc(-c3ccccc3Cl)cs1)C2
InChIInChI=1S/C16H13ClN4OS/c17-12-4-2-1-3-10(12)14-8-23-16(20-14)21-6-5-11-13(7-21)18-9-19-15(11)22/h1-4,8-9H,5-7H2,(H,18,19,22)
InChIKeyOGRFYGSNNYEXPP-UHFFFAOYSA-N
MW344.83 g/mol
LogP3.11
Rot. Bonds2

About 7-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one

7-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one (PubChem CID 166329755) has the molecular formula C16H13ClN4OS and a molecular weight of 344.83 g/mol. Its IUPAC name is 7-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name7-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
PubChem CID166329755
Molecular FormulaC16H13ClN4OS
Molecular Weight344.83 g/mol
Exact Mass344.05
IUPAC Name7-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
SMILESO=c1[nH]cnc2c1CCN(c1nc(-c3ccccc3Cl)cs1)C2
InChIInChI=1S/C16H13ClN4OS/c17-12-4-2-1-3-10(12)14-8-23-16(20-14)21-6-5-11-13(7-21)18-9-19-15(11)22/h1-4,8-9H,5-7H2,(H,18,19,22)
InChIKeyOGRFYGSNNYEXPP-UHFFFAOYSA-N
XLogP3.11
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.83
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

7-[4-(azepan-1-yl)phthalazin-1-yl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 155955238
4-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]piperazine-1-carboxylic acid
CID 68778558
1-[1-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]piperidin-4-yl]-1,3-diazinan-2-one
CID 133451493
(2R)-4-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]morpholine-2-carboxamide
CID 97350829
[1-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-3-methylpiperidin-3-yl]methanol
CID 133451629
2-(2-piperidin-1-yl-1,3-thiazol-4-yl)phenol
CID 15984509
4-(4-chlorophenyl)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-1,3-thiazole
CID 702908
4-[4-(2,3-dichlorophenyl)-1,3-thiazol-2-yl]piperazine-1-carboxylic acid
CID 68780120
2-[(3S,4S)-1-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-5-hydroxy-2-oxo-4-phenylazepan-3-yl]acetic acid
CID 70648642
2-[(2R)-4-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-3,8-dioxo-1-propan-2-yl-1,4-diazocan-2-yl]acetic acid
CID 56646057
N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-4-piperazin-1-ylbenzamide
CID 162387037
[4-(2-chlorophenyl)-1,3-thiazol-2-yl]methanol
CID 46785514

Frequently Asked Questions

What is the IUPAC name of 7-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one?
The IUPAC name of 7-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one (CID 166329755) is 7-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one.
What is the SMILES notation for 7-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one?
The canonical SMILES for 7-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one is O=c1[nH]cnc2c1CCN(c1nc(-c3ccccc3Cl)cs1)C2.
What is the InChIKey of 7-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one?
The InChIKey is OGRFYGSNNYEXPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClN4OS/c17-12-4-2-1-3-10(12)14-8-23-16(20-14)21-6-5-11-13(7-21)18-9-19-15(11)22/h1-4,8-9H,5-7H2,(H,18,19,22).
What are the key properties of 7-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one?
7-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one has a molecular weight of 344.83 g/mol, XLogP of 3.11, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one is sourced from PubChem (CID 166329755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).