2-methyl-N-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-6-yl)-1,3-thiazole-5-carboxamide

C16H18N2OS — CID 91516996

IUPAC2-methyl-N-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-6-yl)-1,3-thiazole-5-carboxamide
SMILESCc1ncc(C(=O)NC2CCCc3ccccc3C2)s1
InChIInChI=1S/C16H18N2OS/c1-11-17-10-15(20-11)16(19)18-14-8-4-7-12-5-2-3-6-13(12)9-14/h2-3,5-6,10,14H,4,7-9H2,1H3,(H,18,19)
InChIKeyICPYGOILDYAPJT-UHFFFAOYSA-N
MW286.40 g/mol
LogP3.13
Rot. Bonds2

About 2-methyl-N-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-6-yl)-1,3-thiazole-5-carboxamide

2-methyl-N-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-6-yl)-1,3-thiazole-5-carboxamide (PubChem CID 91516996) has the molecular formula C16H18N2OS and a molecular weight of 286.40 g/mol. Its IUPAC name is 2-methyl-N-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-6-yl)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-methyl-N-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-6-yl)-1,3-thiazole-5-carboxamide
PubChem CID91516996
Molecular FormulaC16H18N2OS
Molecular Weight286.40 g/mol
Exact Mass286.11
IUPAC Name2-methyl-N-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-6-yl)-1,3-thiazole-5-carboxamide
SMILESCc1ncc(C(=O)NC2CCCc3ccccc3C2)s1
InChIInChI=1S/C16H18N2OS/c1-11-17-10-15(20-11)16(19)18-14-8-4-7-12-5-2-3-6-13(12)9-14/h2-3,5-6,10,14H,4,7-9H2,1H3,(H,18,19)
InChIKeyICPYGOILDYAPJT-UHFFFAOYSA-N
XLogP3.13
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.40
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-6-yl)-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-methyl-N-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-6-yl)-1,3-thiazole-5-carboxamide (CID 91516996) is 2-methyl-N-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-6-yl)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-methyl-N-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-6-yl)-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-methyl-N-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-6-yl)-1,3-thiazole-5-carboxamide is Cc1ncc(C(=O)NC2CCCc3ccccc3C2)s1.
What is the InChIKey of 2-methyl-N-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-6-yl)-1,3-thiazole-5-carboxamide?
The InChIKey is ICPYGOILDYAPJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2OS/c1-11-17-10-15(20-11)16(19)18-14-8-4-7-12-5-2-3-6-13(12)9-14/h2-3,5-6,10,14H,4,7-9H2,1H3,(H,18,19).
What are the key properties of 2-methyl-N-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-6-yl)-1,3-thiazole-5-carboxamide?
2-methyl-N-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-6-yl)-1,3-thiazole-5-carboxamide has a molecular weight of 286.40 g/mol, XLogP of 3.13, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-6-yl)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 91516996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).