2-chloro-5-(hexoxymethyl)-1,3-thiazole

C10H16ClNOS — CID 79765509

IUPAC2-chloro-5-(hexoxymethyl)-1,3-thiazole
SMILESCCCCCCOCc1cnc(Cl)s1
InChIInChI=1S/C10H16ClNOS/c1-2-3-4-5-6-13-8-9-7-12-10(11)14-9/h7H,2-6,8H2,1H3
InChIKeyNHJXRVRWDKRHFJ-UHFFFAOYSA-N
MW233.76 g/mol
LogP3.89
Rot. Bonds7

About 2-chloro-5-(hexoxymethyl)-1,3-thiazole

2-chloro-5-(hexoxymethyl)-1,3-thiazole (PubChem CID 79765509) has the molecular formula C10H16ClNOS and a molecular weight of 233.76 g/mol. Its IUPAC name is 2-chloro-5-(hexoxymethyl)-1,3-thiazole.

Molecular Properties

Compound Name2-chloro-5-(hexoxymethyl)-1,3-thiazole
PubChem CID79765509
Molecular FormulaC10H16ClNOS
Molecular Weight233.76 g/mol
Exact Mass233.06
IUPAC Name2-chloro-5-(hexoxymethyl)-1,3-thiazole
SMILESCCCCCCOCc1cnc(Cl)s1
InChIInChI=1S/C10H16ClNOS/c1-2-3-4-5-6-13-8-9-7-12-10(11)14-9/h7H,2-6,8H2,1H3
InChIKeyNHJXRVRWDKRHFJ-UHFFFAOYSA-N
XLogP3.89
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.76
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-5-[(4-propoxyphenoxy)methyl]-1,3-thiazole
CID 79764860
2-chloro-5-(heptoxymethyl)pyridine
CID 43128041
2-chloro-5-propyl-1,3-thiazole
CID 56625607
2-bromo-5-(octoxymethyl)thiophene
CID 63457717
2-chloro-5-(cyclopentylmethoxymethyl)-1,3-thiazole
CID 79763985
N-[[5-(octoxymethyl)thiophen-2-yl]methyl]propan-2-amine
CID 107558214
2-(hexoxymethyl)thiophene
CID 57182867
2-chloro-5-[(4-chlorophenyl)methoxymethyl]-1,3-thiazole
CID 79765516
5-[2-(3-methoxypropoxy)ethoxymethyl]-N-propyl-1,3-thiazol-2-amine
CID 103180550
N-[[5-(hexoxymethyl)thiophen-2-yl]methyl]-2-methylpropan-1-amine
CID 107558203
2-chloro-5-(oxolan-2-ylmethoxymethyl)-1,3-thiazole
CID 79764859
N-ethyl-5-(3-methoxypropoxymethyl)-1,3-thiazol-2-amine
CID 79774095

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-(hexoxymethyl)-1,3-thiazole?
The IUPAC name of 2-chloro-5-(hexoxymethyl)-1,3-thiazole (CID 79765509) is 2-chloro-5-(hexoxymethyl)-1,3-thiazole.
What is the SMILES notation for 2-chloro-5-(hexoxymethyl)-1,3-thiazole?
The canonical SMILES for 2-chloro-5-(hexoxymethyl)-1,3-thiazole is CCCCCCOCc1cnc(Cl)s1.
What is the InChIKey of 2-chloro-5-(hexoxymethyl)-1,3-thiazole?
The InChIKey is NHJXRVRWDKRHFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16ClNOS/c1-2-3-4-5-6-13-8-9-7-12-10(11)14-9/h7H,2-6,8H2,1H3.
What are the key properties of 2-chloro-5-(hexoxymethyl)-1,3-thiazole?
2-chloro-5-(hexoxymethyl)-1,3-thiazole has a molecular weight of 233.76 g/mol, XLogP of 3.89, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-(hexoxymethyl)-1,3-thiazole is sourced from PubChem (CID 79765509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).