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

C22H23N3O2S — CID 16606453

IUPAC2-naphthalen-1-yl-N-[2-oxo-2-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-ylamino)ethyl]acetamide
SMILESO=C(Cc1cccc2ccccc12)NCC(=O)Nc1nc2c(s1)CCCCC2
InChIInChI=1S/C22H23N3O2S/c26-20(13-16-9-6-8-15-7-4-5-10-17(15)16)23-14-21(27)25-22-24-18-11-2-1-3-12-19(18)28-22/h4-10H,1-3,11-14H2,(H,23,26)(H,24,25,27)
InChIKeyRWPPOCAXHMALIF-UHFFFAOYSA-N
MW393.51 g/mol
LogP3.86
Rot. Bonds5

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

2-naphthalen-1-yl-N-[2-oxo-2-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-ylamino)ethyl]acetamide (PubChem CID 16606453) has the molecular formula C22H23N3O2S and a molecular weight of 393.51 g/mol. Its IUPAC name is 2-naphthalen-1-yl-N-[2-oxo-2-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-ylamino)ethyl]acetamide.

Molecular Properties

Compound Name2-naphthalen-1-yl-N-[2-oxo-2-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-ylamino)ethyl]acetamide
PubChem CID16606453
Molecular FormulaC22H23N3O2S
Molecular Weight393.51 g/mol
Exact Mass393.15
IUPAC Name2-naphthalen-1-yl-N-[2-oxo-2-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-ylamino)ethyl]acetamide
SMILESO=C(Cc1cccc2ccccc12)NCC(=O)Nc1nc2c(s1)CCCCC2
InChIInChI=1S/C22H23N3O2S/c26-20(13-16-9-6-8-15-7-4-5-10-17(15)16)23-14-21(27)25-22-24-18-11-2-1-3-12-19(18)28-22/h4-10H,1-3,11-14H2,(H,23,26)(H,24,25,27)
InChIKeyRWPPOCAXHMALIF-UHFFFAOYSA-N
XLogP3.86
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.51
LogP ≤ 53.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-methylphenyl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide
CID 6466381
N'-methyl-N'-(naphthalen-1-ylmethyl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)oxamide
CID 167772423
2-[(4-chloronaphthalen-1-yl)amino]-N-(4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[d][1,3]thiazol-2-yl)acetamide
CID 30377080
2-(3-bromo-2-fluorophenyl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide
CID 146022567
N-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-2-naphthalen-1-ylacetamide
CID 51185664
4-(acetamidomethyl)-N-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-yl)benzamide
CID 167896966
N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-3-(2-hydroxyphenyl)propanamide
CID 33039912
N-[2-[[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]amino]-2-oxoethyl]-2-naphthalen-1-ylacetamide
CID 47076938
2-naphthalen-1-yl-N-(4-oxo-5,6,7,8-tetrahydro-[1,3]thiazolo[5,4-c]azepin-2-yl)acetamide
CID 90625397
2-naphthalen-1-yl-N-(5-propyl-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-5-ium-2-yl)acetamide
CID 8550637
3-(benzylamino)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)propanamide
CID 141421085
2-naphthalen-1-yl-N-[2-oxo-2-[(5-propyl-1,3,4-thiadiazol-2-yl)amino]ethyl]acetamide
CID 55540384

Frequently Asked Questions

What is the IUPAC name of 2-naphthalen-1-yl-N-[2-oxo-2-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-ylamino)ethyl]acetamide?
The IUPAC name of 2-naphthalen-1-yl-N-[2-oxo-2-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-ylamino)ethyl]acetamide (CID 16606453) is 2-naphthalen-1-yl-N-[2-oxo-2-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-ylamino)ethyl]acetamide.
What is the SMILES notation for 2-naphthalen-1-yl-N-[2-oxo-2-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-ylamino)ethyl]acetamide?
The canonical SMILES for 2-naphthalen-1-yl-N-[2-oxo-2-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-ylamino)ethyl]acetamide is O=C(Cc1cccc2ccccc12)NCC(=O)Nc1nc2c(s1)CCCCC2.
What is the InChIKey of 2-naphthalen-1-yl-N-[2-oxo-2-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-ylamino)ethyl]acetamide?
The InChIKey is RWPPOCAXHMALIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O2S/c26-20(13-16-9-6-8-15-7-4-5-10-17(15)16)23-14-21(27)25-22-24-18-11-2-1-3-12-19(18)28-22/h4-10H,1-3,11-14H2,(H,23,26)(H,24,25,27).
What are the key properties of 2-naphthalen-1-yl-N-[2-oxo-2-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-ylamino)ethyl]acetamide?
2-naphthalen-1-yl-N-[2-oxo-2-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-ylamino)ethyl]acetamide has a molecular weight of 393.51 g/mol, XLogP of 3.86, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-naphthalen-1-yl-N-[2-oxo-2-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-ylamino)ethyl]acetamide is sourced from PubChem (CID 16606453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).