2-(2-pyridin-2-yl-1,3-thiazol-4-yl)-N-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-yl)acetamide

C18H18N4OS2 — CID 16605145

IUPAC2-(2-pyridin-2-yl-1,3-thiazol-4-yl)-N-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-yl)acetamide
SMILESO=C(Cc1csc(-c2ccccn2)n1)Nc1nc2c(s1)CCCCC2
InChIInChI=1S/C18H18N4OS2/c23-16(22-18-21-13-6-2-1-3-8-15(13)25-18)10-12-11-24-17(20-12)14-7-4-5-9-19-14/h4-5,7,9,11H,1-3,6,8,10H2,(H,21,22,23)
InChIKeyBGAMITNKQQRLHH-UHFFFAOYSA-N
MW370.50 g/mol
LogP4.11
Rot. Bonds4

About 2-(2-pyridin-2-yl-1,3-thiazol-4-yl)-N-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-yl)acetamide

2-(2-pyridin-2-yl-1,3-thiazol-4-yl)-N-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-yl)acetamide (PubChem CID 16605145) has the molecular formula C18H18N4OS2 and a molecular weight of 370.50 g/mol. Its IUPAC name is 2-(2-pyridin-2-yl-1,3-thiazol-4-yl)-N-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-(2-pyridin-2-yl-1,3-thiazol-4-yl)-N-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-yl)acetamide
PubChem CID16605145
Molecular FormulaC18H18N4OS2
Molecular Weight370.50 g/mol
Exact Mass370.09
IUPAC Name2-(2-pyridin-2-yl-1,3-thiazol-4-yl)-N-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-yl)acetamide
SMILESO=C(Cc1csc(-c2ccccn2)n1)Nc1nc2c(s1)CCCCC2
InChIInChI=1S/C18H18N4OS2/c23-16(22-18-21-13-6-2-1-3-8-15(13)25-18)10-12-11-24-17(20-12)14-7-4-5-9-19-14/h4-5,7,9,11H,1-3,6,8,10H2,(H,21,22,23)
InChIKeyBGAMITNKQQRLHH-UHFFFAOYSA-N
XLogP4.11
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.50
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-cyclooctyl-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide
CID 17449429
N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)pyridine-2-carboxamide
CID 2439718
N-propan-2-yl-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide
CID 27648148
N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide
CID 16562643
2-(2-pyridin-2-yl-1,3-thiazol-4-yl)-N-[2-(trifluoromethoxy)phenyl]acetamide
CID 16572212
N-[2-(difluoromethylsulfonyl)phenyl]-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide
CID 55388333
N-[2-(1,3-benzothiazol-2-yl)phenyl]-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide
CID 16563450
N-(2-benzylsulfanylphenyl)-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide
CID 16563548
4-[[2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetyl]amino]benzamide
CID 26721108
2-(2-methylphenyl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide
CID 6466381
N-[2-(2,3-dihydroindol-1-yl)phenyl]-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide
CID 38749299
N-[(1-hydroxycyclohexyl)methyl]-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide
CID 111445951

Frequently Asked Questions

What is the IUPAC name of 2-(2-pyridin-2-yl-1,3-thiazol-4-yl)-N-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-yl)acetamide?
The IUPAC name of 2-(2-pyridin-2-yl-1,3-thiazol-4-yl)-N-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-yl)acetamide (CID 16605145) is 2-(2-pyridin-2-yl-1,3-thiazol-4-yl)-N-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-yl)acetamide.
What is the SMILES notation for 2-(2-pyridin-2-yl-1,3-thiazol-4-yl)-N-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-yl)acetamide?
The canonical SMILES for 2-(2-pyridin-2-yl-1,3-thiazol-4-yl)-N-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-yl)acetamide is O=C(Cc1csc(-c2ccccn2)n1)Nc1nc2c(s1)CCCCC2.
What is the InChIKey of 2-(2-pyridin-2-yl-1,3-thiazol-4-yl)-N-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-yl)acetamide?
The InChIKey is BGAMITNKQQRLHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4OS2/c23-16(22-18-21-13-6-2-1-3-8-15(13)25-18)10-12-11-24-17(20-12)14-7-4-5-9-19-14/h4-5,7,9,11H,1-3,6,8,10H2,(H,21,22,23).
What are the key properties of 2-(2-pyridin-2-yl-1,3-thiazol-4-yl)-N-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-yl)acetamide?
2-(2-pyridin-2-yl-1,3-thiazol-4-yl)-N-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-yl)acetamide has a molecular weight of 370.50 g/mol, XLogP of 4.11, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-pyridin-2-yl-1,3-thiazol-4-yl)-N-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-yl)acetamide is sourced from PubChem (CID 16605145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).