N-[2-[(4-methyl-1,3-benzothiazol-2-yl)amino]-2-oxoethyl]cyclohexanecarboxamide

C17H21N3O2S — CID 17400491

IUPACN-[2-[(4-methyl-1,3-benzothiazol-2-yl)amino]-2-oxoethyl]cyclohexanecarboxamide
SMILESCc1cccc2sc(NC(=O)CNC(=O)C3CCCCC3)nc12
InChIInChI=1S/C17H21N3O2S/c1-11-6-5-9-13-15(11)20-17(23-13)19-14(21)10-18-16(22)12-7-3-2-4-8-12/h5-6,9,12H,2-4,7-8,10H2,1H3,(H,18,22)(H,19,20,21)
InChIKeyBQAPHCMTBCQOBB-UHFFFAOYSA-N
MW331.44 g/mol
LogP3.24
Rot. Bonds4

About N-[2-[(4-methyl-1,3-benzothiazol-2-yl)amino]-2-oxoethyl]cyclohexanecarboxamide

N-[2-[(4-methyl-1,3-benzothiazol-2-yl)amino]-2-oxoethyl]cyclohexanecarboxamide (PubChem CID 17400491) has the molecular formula C17H21N3O2S and a molecular weight of 331.44 g/mol. Its IUPAC name is N-[2-[(4-methyl-1,3-benzothiazol-2-yl)amino]-2-oxoethyl]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-[2-[(4-methyl-1,3-benzothiazol-2-yl)amino]-2-oxoethyl]cyclohexanecarboxamide
PubChem CID17400491
Molecular FormulaC17H21N3O2S
Molecular Weight331.44 g/mol
Exact Mass331.14
IUPAC NameN-[2-[(4-methyl-1,3-benzothiazol-2-yl)amino]-2-oxoethyl]cyclohexanecarboxamide
SMILESCc1cccc2sc(NC(=O)CNC(=O)C3CCCCC3)nc12
InChIInChI=1S/C17H21N3O2S/c1-11-6-5-9-13-15(11)20-17(23-13)19-14(21)10-18-16(22)12-7-3-2-4-8-12/h5-6,9,12H,2-4,7-8,10H2,1H3,(H,18,22)(H,19,20,21)
InChIKeyBQAPHCMTBCQOBB-UHFFFAOYSA-N
XLogP3.24
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.44
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-cyclohexyl-N-(4-methyl-1,3-benzothiazol-2-yl)acetamide
CID 43952212
N-[2-[[2-(2,6-dimethylanilino)-2-oxoethyl]amino]-2-oxoethyl]cyclohexanecarboxamide
CID 17424471
3-chloro-N-(4-methyl-1,3-benzothiazol-2-yl)propanamide
CID 12646557
N-(4-methoxy-1,3-benzothiazol-2-yl)cyclopentanecarboxamide
CID 43952131
2-(2,6-dichlorophenyl)-N-(4-methyl-1,3-benzothiazol-2-yl)acetamide
CID 4042100
N-(4-chloro-1,3-benzothiazol-2-yl)cyclobutanecarboxamide
CID 42732995
2-(4-fluorophenyl)-N-(4-methyl-1,3-benzothiazol-2-yl)acetamide
CID 2640845
N-(4-methyl-1,3-benzothiazol-2-yl)octanamide
CID 42733003
N-[2-[(5-ethyl-1,3,4-thiadiazol-2-yl)amino]-2-oxoethyl]cyclohexanecarboxamide
CID 50875779
N-(4-propan-2-yl-1,3-benzothiazol-2-yl)cyclopropanecarboxamide
CID 16938450
3-(aminomethyl)-3-methoxy-N-(4-methyl-1,3-benzothiazol-2-yl)cyclobutane-1-carboxamide
CID 166276014
N-(4-methyl-1,3-benzothiazol-2-yl)-3-piperidin-3-ylbutanamide;hydrochloride
CID 119679567

Frequently Asked Questions

What is the IUPAC name of N-[2-[(4-methyl-1,3-benzothiazol-2-yl)amino]-2-oxoethyl]cyclohexanecarboxamide?
The IUPAC name of N-[2-[(4-methyl-1,3-benzothiazol-2-yl)amino]-2-oxoethyl]cyclohexanecarboxamide (CID 17400491) is N-[2-[(4-methyl-1,3-benzothiazol-2-yl)amino]-2-oxoethyl]cyclohexanecarboxamide.
What is the SMILES notation for N-[2-[(4-methyl-1,3-benzothiazol-2-yl)amino]-2-oxoethyl]cyclohexanecarboxamide?
The canonical SMILES for N-[2-[(4-methyl-1,3-benzothiazol-2-yl)amino]-2-oxoethyl]cyclohexanecarboxamide is Cc1cccc2sc(NC(=O)CNC(=O)C3CCCCC3)nc12.
What is the InChIKey of N-[2-[(4-methyl-1,3-benzothiazol-2-yl)amino]-2-oxoethyl]cyclohexanecarboxamide?
The InChIKey is BQAPHCMTBCQOBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O2S/c1-11-6-5-9-13-15(11)20-17(23-13)19-14(21)10-18-16(22)12-7-3-2-4-8-12/h5-6,9,12H,2-4,7-8,10H2,1H3,(H,18,22)(H,19,20,21).
What are the key properties of N-[2-[(4-methyl-1,3-benzothiazol-2-yl)amino]-2-oxoethyl]cyclohexanecarboxamide?
N-[2-[(4-methyl-1,3-benzothiazol-2-yl)amino]-2-oxoethyl]cyclohexanecarboxamide has a molecular weight of 331.44 g/mol, XLogP of 3.24, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(4-methyl-1,3-benzothiazol-2-yl)amino]-2-oxoethyl]cyclohexanecarboxamide is sourced from PubChem (CID 17400491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).