2-cyclopropyl-4-methoxy-1,3-benzothiazole

C11H11NOS — CID 18356996

IUPAC2-cyclopropyl-4-methoxy-1,3-benzothiazole
SMILESCOc1cccc2sc(C3CC3)nc12
InChIInChI=1S/C11H11NOS/c1-13-8-3-2-4-9-10(8)12-11(14-9)7-5-6-7/h2-4,7H,5-6H2,1H3
InChIKeyZVKUMDNLDXFOFH-UHFFFAOYSA-N
MW205.28 g/mol
LogP3.18
Rot. Bonds2

About 2-cyclopropyl-4-methoxy-1,3-benzothiazole

2-cyclopropyl-4-methoxy-1,3-benzothiazole (PubChem CID 18356996) has the molecular formula C11H11NOS and a molecular weight of 205.28 g/mol. Its IUPAC name is 2-cyclopropyl-4-methoxy-1,3-benzothiazole.

Molecular Properties

Compound Name2-cyclopropyl-4-methoxy-1,3-benzothiazole
PubChem CID18356996
Molecular FormulaC11H11NOS
Molecular Weight205.28 g/mol
Exact Mass205.06
IUPAC Name2-cyclopropyl-4-methoxy-1,3-benzothiazole
SMILESCOc1cccc2sc(C3CC3)nc12
InChIInChI=1S/C11H11NOS/c1-13-8-3-2-4-9-10(8)12-11(14-9)7-5-6-7/h2-4,7H,5-6H2,1H3
InChIKeyZVKUMDNLDXFOFH-UHFFFAOYSA-N
XLogP3.18
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.28
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-methoxy-1,3-benzothiazol-2-yl)propan-2-amine
CID 119087334
2-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-7-chloro-4-methoxy-1,3-benzothiazole
CID 16857573
4-methoxy-N-piperidin-4-yl-1,3-benzothiazol-2-amine
CID 82192101
1-(2-cyclopropyl-1,3-benzothiazol-4-yl)cyclohexan-1-amine
CID 117434100
N-(4-methoxy-1,3-benzothiazol-2-yl)cyclopentanecarboxamide
CID 43952131
1-(2-cyclopropyl-1,3-benzothiazol-4-yl)-2-(methylamino)ethanone
CID 117368432
cyclopropyl-[4-(4-methoxy-1,3-benzothiazol-2-yl)piperazin-1-yl]methanone
CID 7539384
2-(1-cyclopropylsulfonylazetidin-3-yl)oxy-4-methoxy-1,3-benzothiazole
CID 71796353
2-(4-ethylpiperazin-1-yl)-4-methoxy-1,3-benzothiazole
CID 16849815
2-amino-2-(2-cyclopropyl-1,3-benzothiazol-4-yl)acetic acid
CID 117373678
N-(4-methoxy-1,3-benzothiazol-2-yl)piperidine-4-carboxamide;hydrochloride
CID 119271366
1-[1-(4-methoxy-1,3-benzothiazol-2-yl)piperidin-4-yl]-1,3,3-trimethylurea
CID 166603719

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-4-methoxy-1,3-benzothiazole?
The IUPAC name of 2-cyclopropyl-4-methoxy-1,3-benzothiazole (CID 18356996) is 2-cyclopropyl-4-methoxy-1,3-benzothiazole.
What is the SMILES notation for 2-cyclopropyl-4-methoxy-1,3-benzothiazole?
The canonical SMILES for 2-cyclopropyl-4-methoxy-1,3-benzothiazole is COc1cccc2sc(C3CC3)nc12.
What is the InChIKey of 2-cyclopropyl-4-methoxy-1,3-benzothiazole?
The InChIKey is ZVKUMDNLDXFOFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NOS/c1-13-8-3-2-4-9-10(8)12-11(14-9)7-5-6-7/h2-4,7H,5-6H2,1H3.
What are the key properties of 2-cyclopropyl-4-methoxy-1,3-benzothiazole?
2-cyclopropyl-4-methoxy-1,3-benzothiazole has a molecular weight of 205.28 g/mol, XLogP of 3.18, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-4-methoxy-1,3-benzothiazole is sourced from PubChem (CID 18356996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).