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

C25H30ClN3OS — CID 30377080

IUPAC2-[(4-chloronaphthalen-1-yl)amino]-N-(4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[d][1,3]thiazol-2-yl)acetamide
SMILESO=C(CNc1ccc(Cl)c2ccccc12)Nc1nc2c(s1)CCCCCCCCCC2
InChIInChI=1S/C25H30ClN3OS/c26-20-15-16-21(19-12-10-9-11-18(19)20)27-17-24(30)29-25-28-22-13-7-5-3-1-2-4-6-8-14-23(22)31-25/h9-12,15-16,27H,1-8,13-14,17H2,(H,28,29,30)
InChIKeyZMJZQXGYSYWNMH-UHFFFAOYSA-N
MW456.06 g/mol
LogP7.22
Rot. Bonds4

About 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

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 (PubChem CID 30377080) has the molecular formula C25H30ClN3OS and a molecular weight of 456.06 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-[(4-chloronaphthalen-1-yl)amino]-N-(4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[d][1,3]thiazol-2-yl)acetamide
PubChem CID30377080
Molecular FormulaC25H30ClN3OS
Molecular Weight456.06 g/mol
Exact Mass455.18
IUPAC Name2-[(4-chloronaphthalen-1-yl)amino]-N-(4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[d][1,3]thiazol-2-yl)acetamide
SMILESO=C(CNc1ccc(Cl)c2ccccc12)Nc1nc2c(s1)CCCCCCCCCC2
InChIInChI=1S/C25H30ClN3OS/c26-20-15-16-21(19-12-10-9-11-18(19)20)27-17-24(30)29-25-28-22-13-7-5-3-1-2-4-6-8-14-23(22)31-25/h9-12,15-16,27H,1-8,13-14,17H2,(H,28,29,30)
InChIKeyZMJZQXGYSYWNMH-UHFFFAOYSA-N
XLogP7.22
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500456.06
LogP ≤ 57.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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
2-phenylsulfanyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide
CID 2931402
2-(2-methylphenyl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide
CID 6466381
2-chloro-N-[3-oxo-3-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylamino)propyl]benzamide
CID 7948509
2-(5-chloroquinolin-8-yl)oxy-N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)acetamide
CID 51117450
3-pyridin-3-yl-N-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-yl)propanamide
CID 24611789
2-[3-(2-chlorophenyl)-6-oxopyridazin-1-yl]-N-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-yl)acetamide
CID 53367656
2-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide
CID 3873494
N-(4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[d][1,3]thiazol-2-yl)acetamide
CID 930096
N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetamide
CID 38493203
2-(5-chlorothiophen-2-yl)-N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)acetamide
CID 41340478
3-amino-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)propanamide;hydrochloride
CID 82034009

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is O=C(CNc1ccc(Cl)c2ccccc12)Nc1nc2c(s1)CCCCCCCCCC2.
What is the InChIKey of 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?
The InChIKey is ZMJZQXGYSYWNMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30ClN3OS/c26-20-15-16-21(19-12-10-9-11-18(19)20)27-17-24(30)29-25-28-22-13-7-5-3-1-2-4-6-8-14-23(22)31-25/h9-12,15-16,27H,1-8,13-14,17H2,(H,28,29,30).
What are the key properties of 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?
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 has a molecular weight of 456.06 g/mol, XLogP of 7.22, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 30377080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).