2-(dimethylamino)-4-methyl-N-[(6S)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-6-yl]-1,3-thiazole-5-carboxamide

C18H23N3OS — CID 91206014

IUPAC2-(dimethylamino)-4-methyl-N-[(6S)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-6-yl]-1,3-thiazole-5-carboxamide
SMILESCc1nc(N(C)C)sc1C(=O)N[C@H]1CCCc2ccccc2C1
InChIInChI=1S/C18H23N3OS/c1-12-16(23-18(19-12)21(2)3)17(22)20-15-10-6-9-13-7-4-5-8-14(13)11-15/h4-5,7-8,15H,6,9-11H2,1-3H3,(H,20,22)/t15-/m0/s1
InChIKeyPPSXQHXWPCSTAO-HNNXBMFYSA-N
MW329.47 g/mol
LogP3.19
Rot. Bonds3

About 2-(dimethylamino)-4-methyl-N-[(6S)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-6-yl]-1,3-thiazole-5-carboxamide

2-(dimethylamino)-4-methyl-N-[(6S)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-6-yl]-1,3-thiazole-5-carboxamide (PubChem CID 91206014) has the molecular formula C18H23N3OS and a molecular weight of 329.47 g/mol. Its IUPAC name is 2-(dimethylamino)-4-methyl-N-[(6S)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-6-yl]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-(dimethylamino)-4-methyl-N-[(6S)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-6-yl]-1,3-thiazole-5-carboxamide
PubChem CID91206014
Molecular FormulaC18H23N3OS
Molecular Weight329.47 g/mol
Exact Mass329.16
IUPAC Name2-(dimethylamino)-4-methyl-N-[(6S)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-6-yl]-1,3-thiazole-5-carboxamide
SMILESCc1nc(N(C)C)sc1C(=O)N[C@H]1CCCc2ccccc2C1
InChIInChI=1S/C18H23N3OS/c1-12-16(23-18(19-12)21(2)3)17(22)20-15-10-6-9-13-7-4-5-8-14(13)11-15/h4-5,7-8,15H,6,9-11H2,1-3H3,(H,20,22)/t15-/m0/s1
InChIKeyPPSXQHXWPCSTAO-HNNXBMFYSA-N
XLogP3.19
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.47
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-4-methyl-N-[(6S)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-6-yl]-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-(dimethylamino)-4-methyl-N-[(6S)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-6-yl]-1,3-thiazole-5-carboxamide (CID 91206014) is 2-(dimethylamino)-4-methyl-N-[(6S)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-6-yl]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-(dimethylamino)-4-methyl-N-[(6S)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-6-yl]-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-(dimethylamino)-4-methyl-N-[(6S)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-6-yl]-1,3-thiazole-5-carboxamide is Cc1nc(N(C)C)sc1C(=O)N[C@H]1CCCc2ccccc2C1.
What is the InChIKey of 2-(dimethylamino)-4-methyl-N-[(6S)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-6-yl]-1,3-thiazole-5-carboxamide?
The InChIKey is PPSXQHXWPCSTAO-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H23N3OS/c1-12-16(23-18(19-12)21(2)3)17(22)20-15-10-6-9-13-7-4-5-8-14(13)11-15/h4-5,7-8,15H,6,9-11H2,1-3H3,(H,20,22)/t15-/m0/s1.
What are the key properties of 2-(dimethylamino)-4-methyl-N-[(6S)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-6-yl]-1,3-thiazole-5-carboxamide?
2-(dimethylamino)-4-methyl-N-[(6S)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-6-yl]-1,3-thiazole-5-carboxamide has a molecular weight of 329.47 g/mol, XLogP of 3.19, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-4-methyl-N-[(6S)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-6-yl]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 91206014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).