2-[3-[(4-chloropyrazol-1-yl)methyl]azetidin-1-yl]-5-methyl-1,3-thiazole

C11H13ClN4S — CID 154583035

IUPAC2-[3-[(4-chloropyrazol-1-yl)methyl]azetidin-1-yl]-5-methyl-1,3-thiazole
SMILESCc1cnc(N2CC(Cn3cc(Cl)cn3)C2)s1
InChIInChI=1S/C11H13ClN4S/c1-8-2-13-11(17-8)15-4-9(5-15)6-16-7-10(12)3-14-16/h2-3,7,9H,4-6H2,1H3
InChIKeyQOXBPUGWLDNUIU-UHFFFAOYSA-N
MW268.77 g/mol
LogP2.44
Rot. Bonds3

About 2-[3-[(4-chloropyrazol-1-yl)methyl]azetidin-1-yl]-5-methyl-1,3-thiazole

2-[3-[(4-chloropyrazol-1-yl)methyl]azetidin-1-yl]-5-methyl-1,3-thiazole (PubChem CID 154583035) has the molecular formula C11H13ClN4S and a molecular weight of 268.77 g/mol. Its IUPAC name is 2-[3-[(4-chloropyrazol-1-yl)methyl]azetidin-1-yl]-5-methyl-1,3-thiazole.

Molecular Properties

Compound Name2-[3-[(4-chloropyrazol-1-yl)methyl]azetidin-1-yl]-5-methyl-1,3-thiazole
PubChem CID154583035
Molecular FormulaC11H13ClN4S
Molecular Weight268.77 g/mol
Exact Mass268.05
IUPAC Name2-[3-[(4-chloropyrazol-1-yl)methyl]azetidin-1-yl]-5-methyl-1,3-thiazole
SMILESCc1cnc(N2CC(Cn3cc(Cl)cn3)C2)s1
InChIInChI=1S/C11H13ClN4S/c1-8-2-13-11(17-8)15-4-9(5-15)6-16-7-10(12)3-14-16/h2-3,7,9H,4-6H2,1H3
InChIKeyQOXBPUGWLDNUIU-UHFFFAOYSA-N
XLogP2.44
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.77
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-[3-[(4-chloropyrazol-1-yl)methyl]azetidin-1-yl]-6-ethylpyrimidine
CID 154580696
4-chloro-2-[3-[(4-methylpyrazol-1-yl)methyl]azetidin-1-yl]-1,3-benzothiazole
CID 154582807
4-[3-[(4-chloropyrazol-1-yl)methyl]azetidin-1-yl]-5,6,7,8-tetrahydroquinazoline
CID 154580618
2-[3-[(4-chloropyrazol-1-yl)methyl]azetidin-1-yl]-4-(trifluoromethyl)pyrimidine
CID 154580652
3-[[3-[(4-chloropyrazol-1-yl)methyl]azetidin-1-yl]methyl]-5-methyl-1,2-oxazole
CID 154583036
6-chloro-2-[3-[(4-chloropyrazol-1-yl)methyl]azetidin-1-yl]quinoline
CID 154581218
[1-(5-methyl-1,3-thiazol-2-yl)piperidin-3-yl]methanol
CID 175647955
4-chloro-1-[[1-(oxan-4-ylmethyl)azetidin-3-yl]methyl]pyrazole
CID 154580584
2-(3-azabicyclo[3.3.1]nonan-3-yl)-5-methyl-1,3-thiazole
CID 166199646
4-methoxy-2-[3-[(4-methylpyrazol-1-yl)methyl]azetidin-1-yl]-1,3-benzothiazole
CID 154582840
5-methyl-2-(3-methylpyrrolidin-1-yl)-1,3-thiazole
CID 126995565
2-amino-4-[(4-chloropyrazol-1-yl)methyl]cyclopentan-1-ol
CID 165487212

Frequently Asked Questions

What is the IUPAC name of 2-[3-[(4-chloropyrazol-1-yl)methyl]azetidin-1-yl]-5-methyl-1,3-thiazole?
The IUPAC name of 2-[3-[(4-chloropyrazol-1-yl)methyl]azetidin-1-yl]-5-methyl-1,3-thiazole (CID 154583035) is 2-[3-[(4-chloropyrazol-1-yl)methyl]azetidin-1-yl]-5-methyl-1,3-thiazole.
What is the SMILES notation for 2-[3-[(4-chloropyrazol-1-yl)methyl]azetidin-1-yl]-5-methyl-1,3-thiazole?
The canonical SMILES for 2-[3-[(4-chloropyrazol-1-yl)methyl]azetidin-1-yl]-5-methyl-1,3-thiazole is Cc1cnc(N2CC(Cn3cc(Cl)cn3)C2)s1.
What is the InChIKey of 2-[3-[(4-chloropyrazol-1-yl)methyl]azetidin-1-yl]-5-methyl-1,3-thiazole?
The InChIKey is QOXBPUGWLDNUIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClN4S/c1-8-2-13-11(17-8)15-4-9(5-15)6-16-7-10(12)3-14-16/h2-3,7,9H,4-6H2,1H3.
What are the key properties of 2-[3-[(4-chloropyrazol-1-yl)methyl]azetidin-1-yl]-5-methyl-1,3-thiazole?
2-[3-[(4-chloropyrazol-1-yl)methyl]azetidin-1-yl]-5-methyl-1,3-thiazole has a molecular weight of 268.77 g/mol, XLogP of 2.44, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(4-chloropyrazol-1-yl)methyl]azetidin-1-yl]-5-methyl-1,3-thiazole is sourced from PubChem (CID 154583035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).