5-methyl-5-propan-2-ylcyclohepta[d][1,3]thiazole

C12H15NS — CID 148629209

IUPAC5-methyl-5-propan-2-ylcyclohepta[d][1,3]thiazole
SMILESCC(C)C1(C)C=CC=c2scnc2=C1
InChIInChI=1S/C12H15NS/c1-9(2)12(3)6-4-5-11-10(7-12)13-8-14-11/h4-9H,1-3H3
InChIKeyNHUYESFJZMVNHZ-UHFFFAOYSA-N
MW205.33 g/mol
LogP1.94
Rot. Bonds1

About 5-methyl-5-propan-2-ylcyclohepta[d][1,3]thiazole

5-methyl-5-propan-2-ylcyclohepta[d][1,3]thiazole (PubChem CID 148629209) has the molecular formula C12H15NS and a molecular weight of 205.33 g/mol. Its IUPAC name is 5-methyl-5-propan-2-ylcyclohepta[d][1,3]thiazole.

Molecular Properties

Compound Name5-methyl-5-propan-2-ylcyclohepta[d][1,3]thiazole
PubChem CID148629209
Molecular FormulaC12H15NS
Molecular Weight205.33 g/mol
Exact Mass205.09
IUPAC Name5-methyl-5-propan-2-ylcyclohepta[d][1,3]thiazole
SMILESCC(C)C1(C)C=CC=c2scnc2=C1
InChIInChI=1S/C12H15NS/c1-9(2)12(3)6-4-5-11-10(7-12)13-8-14-11/h4-9H,1-3H3
InChIKeyNHUYESFJZMVNHZ-UHFFFAOYSA-N
XLogP1.94
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.33
LogP ≤ 51.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

7-Methyl-7-propan-2-yl-5-(trifluoromethyl)cyclohepta[d][1,3]thiazole
CID 170755631
5-Fluoro-7-methyl-7-propan-2-ylcyclohepta[d][1,3]thiazole
CID 170756304
5-fluoro-7-methyl-7H-cyclohepta[d][1,3]thiazole
CID 170757459
7-Ethyl-5-fluoro-7-methylcyclohepta[d][1,3]thiazole
CID 170755443
5,6-Dimethyl-5,6-dihydro-1,3-benzothiazole
CID 68103463
4-(2-Methylhex-4-en-3-ylidene)-5-propan-2-ylidene-1,3-thiazole
CID 91027427
6-ethyl-6,7-dihydro-5H-cyclohepta[d][1,3]thiazole
CID 123560106
5,5-Dimethylcyclohepta[d][1,3]thiazole;ethane
CID 141904835
5,5-Dimethylcyclohepta[d][1,3]thiazole
CID 141904836
5,7,7-Trimethylcyclohepta[d][1,3]thiazole
CID 142240545
(4E)-4-[(2E,4Z)-2-tert-butylhexa-2,4-dienylidene]-5-methylidene-1,3-thiazole
CID 142847482
Ethane;5-methylcyclohepta[d][1,3]thiazole
CID 143108302

Frequently Asked Questions

What is the IUPAC name of 5-methyl-5-propan-2-ylcyclohepta[d][1,3]thiazole?
The IUPAC name of 5-methyl-5-propan-2-ylcyclohepta[d][1,3]thiazole (CID 148629209) is 5-methyl-5-propan-2-ylcyclohepta[d][1,3]thiazole.
What is the SMILES notation for 5-methyl-5-propan-2-ylcyclohepta[d][1,3]thiazole?
The canonical SMILES for 5-methyl-5-propan-2-ylcyclohepta[d][1,3]thiazole is CC(C)C1(C)C=CC=c2scnc2=C1.
What is the InChIKey of 5-methyl-5-propan-2-ylcyclohepta[d][1,3]thiazole?
The InChIKey is NHUYESFJZMVNHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NS/c1-9(2)12(3)6-4-5-11-10(7-12)13-8-14-11/h4-9H,1-3H3.
What are the key properties of 5-methyl-5-propan-2-ylcyclohepta[d][1,3]thiazole?
5-methyl-5-propan-2-ylcyclohepta[d][1,3]thiazole has a molecular weight of 205.33 g/mol, XLogP of 1.94, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-5-propan-2-ylcyclohepta[d][1,3]thiazole is sourced from PubChem (CID 148629209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).