2-propan-2-yl-5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazole

C11H17NS — CID 130157608

IUPAC2-propan-2-yl-5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazole
SMILESCC(C)c1nc2c(s1)CCCCC2
InChIInChI=1S/C11H17NS/c1-8(2)11-12-9-6-4-3-5-7-10(9)13-11/h8H,3-7H2,1-2H3
InChIKeyMCROZEHUQHRCSE-UHFFFAOYSA-N
MW195.33 g/mol
LogP3.54
Rot. Bonds1

About 2-propan-2-yl-5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazole

2-propan-2-yl-5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazole (PubChem CID 130157608) has the molecular formula C11H17NS and a molecular weight of 195.33 g/mol. Its IUPAC name is 2-propan-2-yl-5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazole.

Molecular Properties

Compound Name2-propan-2-yl-5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazole
PubChem CID130157608
Molecular FormulaC11H17NS
Molecular Weight195.33 g/mol
Exact Mass195.11
IUPAC Name2-propan-2-yl-5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazole
SMILESCC(C)c1nc2c(s1)CCCCC2
InChIInChI=1S/C11H17NS/c1-8(2)11-12-9-6-4-3-5-7-10(9)13-11/h8H,3-7H2,1-2H3
InChIKeyMCROZEHUQHRCSE-UHFFFAOYSA-N
XLogP3.54
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.33
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 55295886
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CID 57994012
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Frequently Asked Questions

What is the IUPAC name of 2-propan-2-yl-5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazole?
The IUPAC name of 2-propan-2-yl-5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazole (CID 130157608) is 2-propan-2-yl-5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazole.
What is the SMILES notation for 2-propan-2-yl-5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazole?
The canonical SMILES for 2-propan-2-yl-5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazole is CC(C)c1nc2c(s1)CCCCC2.
What is the InChIKey of 2-propan-2-yl-5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazole?
The InChIKey is MCROZEHUQHRCSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NS/c1-8(2)11-12-9-6-4-3-5-7-10(9)13-11/h8H,3-7H2,1-2H3.
What are the key properties of 2-propan-2-yl-5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazole?
2-propan-2-yl-5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazole has a molecular weight of 195.33 g/mol, XLogP of 3.54, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-yl-5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazole is sourced from PubChem (CID 130157608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).