4-chloro-2-[3-[(4-methylpyrazol-1-yl)methyl]azetidin-1-yl]-1,3-benzothiazole

C15H15ClN4S — CID 154582807

IUPAC4-chloro-2-[3-[(4-methylpyrazol-1-yl)methyl]azetidin-1-yl]-1,3-benzothiazole
SMILESCc1cnn(CC2CN(c3nc4c(Cl)cccc4s3)C2)c1
InChIInChI=1S/C15H15ClN4S/c1-10-5-17-20(6-10)9-11-7-19(8-11)15-18-14-12(16)3-2-4-13(14)21-15/h2-6,11H,7-9H2,1H3
InChIKeyGTSQCUUCRAIELS-UHFFFAOYSA-N
MW318.83 g/mol
LogP3.59
Rot. Bonds3

About 4-chloro-2-[3-[(4-methylpyrazol-1-yl)methyl]azetidin-1-yl]-1,3-benzothiazole

4-chloro-2-[3-[(4-methylpyrazol-1-yl)methyl]azetidin-1-yl]-1,3-benzothiazole (PubChem CID 154582807) has the molecular formula C15H15ClN4S and a molecular weight of 318.83 g/mol. Its IUPAC name is 4-chloro-2-[3-[(4-methylpyrazol-1-yl)methyl]azetidin-1-yl]-1,3-benzothiazole.

Molecular Properties

Compound Name4-chloro-2-[3-[(4-methylpyrazol-1-yl)methyl]azetidin-1-yl]-1,3-benzothiazole
PubChem CID154582807
Molecular FormulaC15H15ClN4S
Molecular Weight318.83 g/mol
Exact Mass318.07
IUPAC Name4-chloro-2-[3-[(4-methylpyrazol-1-yl)methyl]azetidin-1-yl]-1,3-benzothiazole
SMILESCc1cnn(CC2CN(c3nc4c(Cl)cccc4s3)C2)c1
InChIInChI=1S/C15H15ClN4S/c1-10-5-17-20(6-10)9-11-7-19(8-11)15-18-14-12(16)3-2-4-13(14)21-15/h2-6,11H,7-9H2,1H3
InChIKeyGTSQCUUCRAIELS-UHFFFAOYSA-N
XLogP3.59
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.83
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-methoxy-2-[3-[(4-methylpyrazol-1-yl)methyl]azetidin-1-yl]-1,3-benzothiazole
CID 154582840
[1-(4-chloro-1,3-benzothiazol-2-yl)azetidin-3-yl] acetate
CID 71800365
2-[4-(4-chloro-1,3-benzothiazol-2-yl)piperazin-1-yl]ethanamine
CID 82167648
3-(2-methoxyethyl)-5-[3-[(4-methylpyrazol-1-yl)methyl]azetidin-1-yl]-1,2,4-thiadiazole
CID 154583107
4-[3-[(4-methylpyrazol-1-yl)methyl]azetidin-1-yl]-2-methylsulfanylpyrimidine
CID 154583048
1-(4-chloro-1,3-benzothiazol-2-yl)-5-oxopyrrolidine-3-carboxylic acid
CID 168692019
(4-butylcyclohexyl)-[4-(4-chloro-1,3-benzothiazol-2-yl)piperazin-1-yl]methanone
CID 43982497
(1R)-1-(2-chlorophenyl)-2-[4-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]ethanol
CID 95978859
4-[1-(4-chloro-1,3-benzothiazol-2-yl)pyrrolidin-3-yl]morpholine
CID 172900775
5-amino-1-(4-chloro-1,3-benzothiazol-2-yl)pyrazole-4-carbonitrile
CID 51048509
[4-(4-chloro-1,3-benzothiazol-2-yl)piperazin-1-yl]-(2,5-dimethylphenyl)methanone
CID 7539555
[1-(4-chloro-1,3-benzothiazol-2-yl)azetidin-3-yl] 3-(benzenesulfonyl)propanoate
CID 71800371

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-[3-[(4-methylpyrazol-1-yl)methyl]azetidin-1-yl]-1,3-benzothiazole?
The IUPAC name of 4-chloro-2-[3-[(4-methylpyrazol-1-yl)methyl]azetidin-1-yl]-1,3-benzothiazole (CID 154582807) is 4-chloro-2-[3-[(4-methylpyrazol-1-yl)methyl]azetidin-1-yl]-1,3-benzothiazole.
What is the SMILES notation for 4-chloro-2-[3-[(4-methylpyrazol-1-yl)methyl]azetidin-1-yl]-1,3-benzothiazole?
The canonical SMILES for 4-chloro-2-[3-[(4-methylpyrazol-1-yl)methyl]azetidin-1-yl]-1,3-benzothiazole is Cc1cnn(CC2CN(c3nc4c(Cl)cccc4s3)C2)c1.
What is the InChIKey of 4-chloro-2-[3-[(4-methylpyrazol-1-yl)methyl]azetidin-1-yl]-1,3-benzothiazole?
The InChIKey is GTSQCUUCRAIELS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN4S/c1-10-5-17-20(6-10)9-11-7-19(8-11)15-18-14-12(16)3-2-4-13(14)21-15/h2-6,11H,7-9H2,1H3.
What are the key properties of 4-chloro-2-[3-[(4-methylpyrazol-1-yl)methyl]azetidin-1-yl]-1,3-benzothiazole?
4-chloro-2-[3-[(4-methylpyrazol-1-yl)methyl]azetidin-1-yl]-1,3-benzothiazole has a molecular weight of 318.83 g/mol, XLogP of 3.59, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-[3-[(4-methylpyrazol-1-yl)methyl]azetidin-1-yl]-1,3-benzothiazole is sourced from PubChem (CID 154582807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).