4-(chloromethyl)-2-(1,2,3,4-tetrahydronaphthalen-1-yloxymethyl)-1,3-thiazole

C15H16ClNOS — CID 43138207

IUPAC4-(chloromethyl)-2-(1,2,3,4-tetrahydronaphthalen-1-yloxymethyl)-1,3-thiazole
SMILESClCc1csc(COC2CCCc3ccccc32)n1
InChIInChI=1S/C15H16ClNOS/c16-8-12-10-19-15(17-12)9-18-14-7-3-5-11-4-1-2-6-13(11)14/h1-2,4,6,10,14H,3,5,7-9H2
InChIKeyFIWHYBCBRZIGJQ-UHFFFAOYSA-N
MW293.82 g/mol
LogP4.48
Rot. Bonds4

About 4-(chloromethyl)-2-(1,2,3,4-tetrahydronaphthalen-1-yloxymethyl)-1,3-thiazole

4-(chloromethyl)-2-(1,2,3,4-tetrahydronaphthalen-1-yloxymethyl)-1,3-thiazole (PubChem CID 43138207) has the molecular formula C15H16ClNOS and a molecular weight of 293.82 g/mol. Its IUPAC name is 4-(chloromethyl)-2-(1,2,3,4-tetrahydronaphthalen-1-yloxymethyl)-1,3-thiazole.

Molecular Properties

Compound Name4-(chloromethyl)-2-(1,2,3,4-tetrahydronaphthalen-1-yloxymethyl)-1,3-thiazole
PubChem CID43138207
Molecular FormulaC15H16ClNOS
Molecular Weight293.82 g/mol
Exact Mass293.06
IUPAC Name4-(chloromethyl)-2-(1,2,3,4-tetrahydronaphthalen-1-yloxymethyl)-1,3-thiazole
SMILESClCc1csc(COC2CCCc3ccccc32)n1
InChIInChI=1S/C15H16ClNOS/c16-8-12-10-19-15(17-12)9-18-14-7-3-5-11-4-1-2-6-13(11)14/h1-2,4,6,10,14H,3,5,7-9H2
InChIKeyFIWHYBCBRZIGJQ-UHFFFAOYSA-N
XLogP4.48
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.82
LogP ≤ 54.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

4-(1,2,3,4-tetrahydronaphthalen-1-yloxymethyl)-1,3-thiazol-2-amine
CID 43137896
1-(2-chloroethoxy)-1,2,3,4-tetrahydronaphthalene
CID 43135615
[5-(1,2,3,4-tetrahydronaphthalen-1-yloxymethyl)thiophen-2-yl]methanamine
CID 107558127
2-[2-[(4-chlorophenoxy)methyl]-1,3-thiazol-4-yl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
CID 46649402
6-methyl-2-(1,2,3,4-tetrahydronaphthalen-1-yloxymethyl)pyrimidin-4-amine
CID 80654849
5-chloro-2-(1,2,3,4-tetrahydronaphthalen-1-yloxymethyl)aniline
CID 62100757
2-amino-3-(1,2,3,4-tetrahydronaphthalen-1-yloxy)propan-1-ol
CID 64803202
[2-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,3-thiazol-4-yl]methanamine
CID 63250998
2-[2-[(4-chlorophenoxy)methyl]-1,3-thiazol-4-yl]-N-methyl-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 34804771
2,4-dichloro-6-(1,2,3,4-tetrahydronaphthalen-1-yloxy)-1,3,5-triazine
CID 62859248
4-(chloromethyl)-2-[2-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)ethyl]-1,3-thiazole
CID 63153110
1,2-dimethyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]-3-[3-(1,2,3,4-tetrahydronaphthalen-1-yloxy)propyl]guanidine
CID 109421440

Frequently Asked Questions

What is the IUPAC name of 4-(chloromethyl)-2-(1,2,3,4-tetrahydronaphthalen-1-yloxymethyl)-1,3-thiazole?
The IUPAC name of 4-(chloromethyl)-2-(1,2,3,4-tetrahydronaphthalen-1-yloxymethyl)-1,3-thiazole (CID 43138207) is 4-(chloromethyl)-2-(1,2,3,4-tetrahydronaphthalen-1-yloxymethyl)-1,3-thiazole.
What is the SMILES notation for 4-(chloromethyl)-2-(1,2,3,4-tetrahydronaphthalen-1-yloxymethyl)-1,3-thiazole?
The canonical SMILES for 4-(chloromethyl)-2-(1,2,3,4-tetrahydronaphthalen-1-yloxymethyl)-1,3-thiazole is ClCc1csc(COC2CCCc3ccccc32)n1.
What is the InChIKey of 4-(chloromethyl)-2-(1,2,3,4-tetrahydronaphthalen-1-yloxymethyl)-1,3-thiazole?
The InChIKey is FIWHYBCBRZIGJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClNOS/c16-8-12-10-19-15(17-12)9-18-14-7-3-5-11-4-1-2-6-13(11)14/h1-2,4,6,10,14H,3,5,7-9H2.
What are the key properties of 4-(chloromethyl)-2-(1,2,3,4-tetrahydronaphthalen-1-yloxymethyl)-1,3-thiazole?
4-(chloromethyl)-2-(1,2,3,4-tetrahydronaphthalen-1-yloxymethyl)-1,3-thiazole has a molecular weight of 293.82 g/mol, XLogP of 4.48, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(chloromethyl)-2-(1,2,3,4-tetrahydronaphthalen-1-yloxymethyl)-1,3-thiazole is sourced from PubChem (CID 43138207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).