(2,4-dimethyl-1,3-thiazol-5-yl)-(1,2,3,4-tetrahydronaphthalen-2-yl)methanone

C16H17NOS — CID 114033974

IUPAC(2,4-dimethyl-1,3-thiazol-5-yl)-(1,2,3,4-tetrahydronaphthalen-2-yl)methanone
SMILESCc1nc(C)c(C(=O)C2CCc3ccccc3C2)s1
InChIInChI=1S/C16H17NOS/c1-10-16(19-11(2)17-10)15(18)14-8-7-12-5-3-4-6-13(12)9-14/h3-6,14H,7-9H2,1-2H3
InChIKeyAIVVGDFFBRNNNM-UHFFFAOYSA-N
MW271.38 g/mol
LogP3.75
Rot. Bonds2

About (2,4-dimethyl-1,3-thiazol-5-yl)-(1,2,3,4-tetrahydronaphthalen-2-yl)methanone

(2,4-dimethyl-1,3-thiazol-5-yl)-(1,2,3,4-tetrahydronaphthalen-2-yl)methanone (PubChem CID 114033974) has the molecular formula C16H17NOS and a molecular weight of 271.38 g/mol. Its IUPAC name is (2,4-dimethyl-1,3-thiazol-5-yl)-(1,2,3,4-tetrahydronaphthalen-2-yl)methanone.

Molecular Properties

Compound Name(2,4-dimethyl-1,3-thiazol-5-yl)-(1,2,3,4-tetrahydronaphthalen-2-yl)methanone
PubChem CID114033974
Molecular FormulaC16H17NOS
Molecular Weight271.38 g/mol
Exact Mass271.10
IUPAC Name(2,4-dimethyl-1,3-thiazol-5-yl)-(1,2,3,4-tetrahydronaphthalen-2-yl)methanone
SMILESCc1nc(C)c(C(=O)C2CCc3ccccc3C2)s1
InChIInChI=1S/C16H17NOS/c1-10-16(19-11(2)17-10)15(18)14-8-7-12-5-3-4-6-13(12)9-14/h3-6,14H,7-9H2,1-2H3
InChIKeyAIVVGDFFBRNNNM-UHFFFAOYSA-N
XLogP3.75
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.38
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1,2,3,4-tetrahydronaphthalene-2-carboxylic acid;hydrochloride
CID 67808987
(2,4-dimethyl-1,3-thiazol-5-yl)-(2-methyl-2,3-dihydroindol-1-yl)methanone
CID 42905966
(4,5-dibromothiophen-2-yl)-(1,2,3,4-tetrahydronaphthalen-2-yl)methanone
CID 107126449
(3-chloro-5-methylphenyl)-(1,2,3,4-tetrahydronaphthalen-2-yl)methanone
CID 107126880
(2-bromo-4-methylphenyl)-(1,2,3,4-tetrahydronaphthalen-2-yl)methanone
CID 107126828
[3-(3,4-dihydro-1H-isoquinolin-2-yl)azetidin-1-yl]-(2,4-dimethyl-1,3-thiazol-5-yl)methanone
CID 121017119
ethane;N-methyl-1,2,3,4-tetrahydronaphthalene-2-carboxamide
CID 143214414
(3,5-difluorophenyl)-(1,2,3,4-tetrahydronaphthalen-2-yl)methanone
CID 65408772
1,3-oxazol-2-yl-[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]methanone
CID 52951453
cyclopentyl(1,2,3,4-tetrahydronaphthalen-2-yl)methanone
CID 65409165
1,2,3,4-tetrahydronaphthalen-2-yl-(3,4,5-trifluorophenyl)methanone
CID 107126876
2-(ethylamino)-4-methyl-N-(1,2,3,4-tetrahydronaphthalen-2-yl)-1,3-thiazole-5-carboxamide
CID 90648353

Frequently Asked Questions

What is the IUPAC name of (2,4-dimethyl-1,3-thiazol-5-yl)-(1,2,3,4-tetrahydronaphthalen-2-yl)methanone?
The IUPAC name of (2,4-dimethyl-1,3-thiazol-5-yl)-(1,2,3,4-tetrahydronaphthalen-2-yl)methanone (CID 114033974) is (2,4-dimethyl-1,3-thiazol-5-yl)-(1,2,3,4-tetrahydronaphthalen-2-yl)methanone.
What is the SMILES notation for (2,4-dimethyl-1,3-thiazol-5-yl)-(1,2,3,4-tetrahydronaphthalen-2-yl)methanone?
The canonical SMILES for (2,4-dimethyl-1,3-thiazol-5-yl)-(1,2,3,4-tetrahydronaphthalen-2-yl)methanone is Cc1nc(C)c(C(=O)C2CCc3ccccc3C2)s1.
What is the InChIKey of (2,4-dimethyl-1,3-thiazol-5-yl)-(1,2,3,4-tetrahydronaphthalen-2-yl)methanone?
The InChIKey is AIVVGDFFBRNNNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NOS/c1-10-16(19-11(2)17-10)15(18)14-8-7-12-5-3-4-6-13(12)9-14/h3-6,14H,7-9H2,1-2H3.
What are the key properties of (2,4-dimethyl-1,3-thiazol-5-yl)-(1,2,3,4-tetrahydronaphthalen-2-yl)methanone?
(2,4-dimethyl-1,3-thiazol-5-yl)-(1,2,3,4-tetrahydronaphthalen-2-yl)methanone has a molecular weight of 271.38 g/mol, XLogP of 3.75, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-dimethyl-1,3-thiazol-5-yl)-(1,2,3,4-tetrahydronaphthalen-2-yl)methanone is sourced from PubChem (CID 114033974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).