7-[[5-(4-chlorophenyl)tetrazol-2-yl]methyl]-3-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one

C15H11ClN6OS — CID 46675170

IUPAC7-[[5-(4-chlorophenyl)tetrazol-2-yl]methyl]-3-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESCc1csc2nc(Cn3nnc(-c4ccc(Cl)cc4)n3)cc(=O)n12
InChIInChI=1S/C15H11ClN6OS/c1-9-8-24-15-17-12(6-13(23)22(9)15)7-21-19-14(18-20-21)10-2-4-11(16)5-3-10/h2-6,8H,7H2,1H3
InChIKeyMQGZRQTVQBKDKK-UHFFFAOYSA-N
MW358.81 g/mol
LogP2.42
Rot. Bonds3

About 7-[[5-(4-chlorophenyl)tetrazol-2-yl]methyl]-3-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one

7-[[5-(4-chlorophenyl)tetrazol-2-yl]methyl]-3-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one (PubChem CID 46675170) has the molecular formula C15H11ClN6OS and a molecular weight of 358.81 g/mol. Its IUPAC name is 7-[[5-(4-chlorophenyl)tetrazol-2-yl]methyl]-3-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one.

Molecular Properties

Compound Name7-[[5-(4-chlorophenyl)tetrazol-2-yl]methyl]-3-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one
PubChem CID46675170
Molecular FormulaC15H11ClN6OS
Molecular Weight358.81 g/mol
Exact Mass358.04
IUPAC Name7-[[5-(4-chlorophenyl)tetrazol-2-yl]methyl]-3-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESCc1csc2nc(Cn3nnc(-c4ccc(Cl)cc4)n3)cc(=O)n12
InChIInChI=1S/C15H11ClN6OS/c1-9-8-24-15-17-12(6-13(23)22(9)15)7-21-19-14(18-20-21)10-2-4-11(16)5-3-10/h2-6,8H,7H2,1H3
InChIKeyMQGZRQTVQBKDKK-UHFFFAOYSA-N
XLogP2.42
TPSA77.97 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.81
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

7-[(6-chloro-4-oxoquinazolin-3-yl)methyl]-3-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 24577851
2-methyl-7-[[5-(4-methylphenyl)tetrazol-2-yl]methyl]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
CID 46486436
7-[[[(1R)-1-(4-chlorophenyl)ethyl]amino]methyl]-3-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 92828595
(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 2-(4-chlorophenyl)acetate
CID 7750372
3-methyl-7-[(6-oxo-3-phenylpyridazin-1-yl)methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 51120862
7-[(4-ethylpiperazin-1-yl)methyl]-3-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 17396980
(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 1-(4-chlorophenyl)cyclopropane-1-carboxylate
CID 7455115
7-[[4-(1-aminoethyl)triazol-1-yl]methyl]-3-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 114419848
3-methyl-7-[(4-oxothieno[2,3-d]pyrimidin-3-yl)methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 24577055
(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]propanoate
CID 51111929
7-[[4-(5-chloro-1,3-benzoxazol-2-yl)piperidin-1-yl]methyl]-3-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 47045649
2-[4-[[5-(4-chlorophenyl)tetrazol-2-yl]methyl]-1,3-thiazol-2-yl]-N-(2-methylphenyl)acetamide
CID 55356519

Frequently Asked Questions

What is the IUPAC name of 7-[[5-(4-chlorophenyl)tetrazol-2-yl]methyl]-3-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The IUPAC name of 7-[[5-(4-chlorophenyl)tetrazol-2-yl]methyl]-3-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one (CID 46675170) is 7-[[5-(4-chlorophenyl)tetrazol-2-yl]methyl]-3-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one.
What is the SMILES notation for 7-[[5-(4-chlorophenyl)tetrazol-2-yl]methyl]-3-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The canonical SMILES for 7-[[5-(4-chlorophenyl)tetrazol-2-yl]methyl]-3-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one is Cc1csc2nc(Cn3nnc(-c4ccc(Cl)cc4)n3)cc(=O)n12.
What is the InChIKey of 7-[[5-(4-chlorophenyl)tetrazol-2-yl]methyl]-3-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The InChIKey is MQGZRQTVQBKDKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClN6OS/c1-9-8-24-15-17-12(6-13(23)22(9)15)7-21-19-14(18-20-21)10-2-4-11(16)5-3-10/h2-6,8H,7H2,1H3.
What are the key properties of 7-[[5-(4-chlorophenyl)tetrazol-2-yl]methyl]-3-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
7-[[5-(4-chlorophenyl)tetrazol-2-yl]methyl]-3-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one has a molecular weight of 358.81 g/mol, XLogP of 2.42, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[[5-(4-chlorophenyl)tetrazol-2-yl]methyl]-3-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one is sourced from PubChem (CID 46675170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).