6H-cyclohepta[d][1,3]thiazole

C8H7NS — CID 123772750

IUPAC6H-cyclohepta[d][1,3]thiazole
SMILESC1=Cc2ncsc2C=CC1
InChIInChI=1S/C8H7NS/c1-2-4-7-8(5-3-1)10-6-9-7/h2-6H,1H2
InChIKeyCTPWGGASQWSGRN-UHFFFAOYSA-N
MW149.22 g/mol
LogP2.57
Rot. Bonds

About 6H-cyclohepta[d][1,3]thiazole

6H-cyclohepta[d][1,3]thiazole (PubChem CID 123772750) has the molecular formula C8H7NS and a molecular weight of 149.22 g/mol. Its IUPAC name is 6H-cyclohepta[d][1,3]thiazole.

Molecular Properties

Compound Name6H-cyclohepta[d][1,3]thiazole
PubChem CID123772750
Molecular FormulaC8H7NS
Molecular Weight149.22 g/mol
Exact Mass149.03
IUPAC Name6H-cyclohepta[d][1,3]thiazole
SMILESC1=Cc2ncsc2C=CC1
InChIInChI=1S/C8H7NS/c1-2-4-7-8(5-3-1)10-6-9-7/h2-6H,1H2
InChIKeyCTPWGGASQWSGRN-UHFFFAOYSA-N
XLogP2.57
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.22
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4,5-dihydro-[1,3]thiazolo[5,4-b]pyridine
CID 59703801
4,5-dihydro-[1,3]thiazolo[4,5-b]pyridine
CID 163517288
6-methylcyclohepta[d][1,3]thiazole-6-carbaldehyde
CID 143058959
2-ethylsulfanyl-6H-cyclohepta[d][1,3]thiazole
CID 143576074
2,6-dihydrocyclohepta[d]triazole;ethane;molecular hydrogen
CID 144662329
3-methyl-7H-cyclohepta[b]pyridine
CID 130255856
ethane;3-methyl-7H-cyclohepta[e][1,2,4]triazine
CID 142863536
ethane;2-methyl-6H-[1,3]thiazolo[5,4-b]azepine
CID 144565837
4H-[1,3]thiazolo[4,5-c]azepine
CID 57432535
2-methyl-3-propan-2-yl-7H-cyclohepta[b]pyrazine
CID 155742630
3H-pyridine-6-thione
CID 20593761
N-methyl-7H-pyrido[3,2-b]azepin-3-amine
CID 166126341

Frequently Asked Questions

What is the IUPAC name of 6H-cyclohepta[d][1,3]thiazole?
The IUPAC name of 6H-cyclohepta[d][1,3]thiazole (CID 123772750) is 6H-cyclohepta[d][1,3]thiazole.
What is the SMILES notation for 6H-cyclohepta[d][1,3]thiazole?
The canonical SMILES for 6H-cyclohepta[d][1,3]thiazole is C1=Cc2ncsc2C=CC1.
What is the InChIKey of 6H-cyclohepta[d][1,3]thiazole?
The InChIKey is CTPWGGASQWSGRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7NS/c1-2-4-7-8(5-3-1)10-6-9-7/h2-6H,1H2.
What are the key properties of 6H-cyclohepta[d][1,3]thiazole?
6H-cyclohepta[d][1,3]thiazole has a molecular weight of 149.22 g/mol, XLogP of 2.57, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6H-cyclohepta[d][1,3]thiazole is sourced from PubChem (CID 123772750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).