(2-naphthalen-1-yl-1,3-thiazol-4-yl)methanethiol

C14H11NS2 — CID 116889519

IUPAC(2-naphthalen-1-yl-1,3-thiazol-4-yl)methanethiol
SMILESSCc1csc(-c2cccc3ccccc23)n1
InChIInChI=1S/C14H11NS2/c16-8-11-9-17-14(15-11)13-7-3-5-10-4-1-2-6-12(10)13/h1-7,9,16H,8H2
InChIKeyHXDUIAGGIDGREW-UHFFFAOYSA-N
MW257.38 g/mol
LogP4.39
Rot. Bonds2

About (2-naphthalen-1-yl-1,3-thiazol-4-yl)methanethiol

(2-naphthalen-1-yl-1,3-thiazol-4-yl)methanethiol (PubChem CID 116889519) has the molecular formula C14H11NS2 and a molecular weight of 257.38 g/mol. Its IUPAC name is (2-naphthalen-1-yl-1,3-thiazol-4-yl)methanethiol.

Molecular Properties

Compound Name(2-naphthalen-1-yl-1,3-thiazol-4-yl)methanethiol
PubChem CID116889519
Molecular FormulaC14H11NS2
Molecular Weight257.38 g/mol
Exact Mass257.03
IUPAC Name(2-naphthalen-1-yl-1,3-thiazol-4-yl)methanethiol
SMILESSCc1csc(-c2cccc3ccccc23)n1
InChIInChI=1S/C14H11NS2/c16-8-11-9-17-14(15-11)13-7-3-5-10-4-1-2-6-12(10)13/h1-7,9,16H,8H2
InChIKeyHXDUIAGGIDGREW-UHFFFAOYSA-N
XLogP4.39
TPSA12.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

N-hydroxy-3-(2-naphthalen-1-yl-1,3-thiazol-4-yl)propanamide
CID 170775666
[2-(naphthalen-1-ylmethyl)-1,3-thiazol-4-yl]methanethiol
CID 39099748
methyl 2-naphthalen-1-yl-1,3-thiazole-4-carboxylate
CID 113306366
CID 175282704
CID 175282704
bis(1-naphthalen-1-ylnaphthalene);phosphane
CID 175426418
tetrakis(1-naphthalen-1-ylnaphthalene);tetrahydrochloride
CID 173126408
1-naphthalen-1-ylnaphthalene;tetrahydrochloride
CID 68981096
1-naphthalen-1-yl-4-(5-naphthalen-1-ylnaphthalen-1-yl)naphthalene
CID 59169251
(2-bromo-1,3-thiazol-4-yl)methanethiol
CID 71650235
[2-[4-(dimethylamino)phenyl]-1,3-thiazol-4-yl]methanethiol
CID 82131509
1-naphthalen-1-ylnaphthalene;ruthenium(2+);dichloride
CID 11327769
[2-(2-methoxy-5-methylphenyl)-1,3-thiazol-4-yl]methanethiol
CID 116889454

Frequently Asked Questions

What is the IUPAC name of (2-naphthalen-1-yl-1,3-thiazol-4-yl)methanethiol?
The IUPAC name of (2-naphthalen-1-yl-1,3-thiazol-4-yl)methanethiol (CID 116889519) is (2-naphthalen-1-yl-1,3-thiazol-4-yl)methanethiol.
What is the SMILES notation for (2-naphthalen-1-yl-1,3-thiazol-4-yl)methanethiol?
The canonical SMILES for (2-naphthalen-1-yl-1,3-thiazol-4-yl)methanethiol is SCc1csc(-c2cccc3ccccc23)n1.
What is the InChIKey of (2-naphthalen-1-yl-1,3-thiazol-4-yl)methanethiol?
The InChIKey is HXDUIAGGIDGREW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11NS2/c16-8-11-9-17-14(15-11)13-7-3-5-10-4-1-2-6-12(10)13/h1-7,9,16H,8H2.
What are the key properties of (2-naphthalen-1-yl-1,3-thiazol-4-yl)methanethiol?
(2-naphthalen-1-yl-1,3-thiazol-4-yl)methanethiol has a molecular weight of 257.38 g/mol, XLogP of 4.39, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-naphthalen-1-yl-1,3-thiazol-4-yl)methanethiol is sourced from PubChem (CID 116889519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).