N-(4-aminocyclohexyl)-3-(1,3-benzothiazol-2-yl)-2-methyl-2-phenylpropanamide

C23H27N3OS — CID 119476436

IUPACN-(4-aminocyclohexyl)-3-(1,3-benzothiazol-2-yl)-2-methyl-2-phenylpropanamide
SMILESCC(Cc1nc2ccccc2s1)(C(=O)NC1CCC(N)CC1)c1ccccc1
InChIInChI=1S/C23H27N3OS/c1-23(16-7-3-2-4-8-16,22(27)25-18-13-11-17(24)12-14-18)15-21-26-19-9-5-6-10-20(19)28-21/h2-10,17-18H,11-15,24H2,1H3,(H,25,27)
InChIKeyPRBNLVSLVDMIRO-UHFFFAOYSA-N
MW393.56 g/mol
LogP4.18
Rot. Bonds5

About N-(4-aminocyclohexyl)-3-(1,3-benzothiazol-2-yl)-2-methyl-2-phenylpropanamide

N-(4-aminocyclohexyl)-3-(1,3-benzothiazol-2-yl)-2-methyl-2-phenylpropanamide (PubChem CID 119476436) has the molecular formula C23H27N3OS and a molecular weight of 393.56 g/mol. Its IUPAC name is N-(4-aminocyclohexyl)-3-(1,3-benzothiazol-2-yl)-2-methyl-2-phenylpropanamide.

Molecular Properties

Compound NameN-(4-aminocyclohexyl)-3-(1,3-benzothiazol-2-yl)-2-methyl-2-phenylpropanamide
PubChem CID119476436
Molecular FormulaC23H27N3OS
Molecular Weight393.56 g/mol
Exact Mass393.19
IUPAC NameN-(4-aminocyclohexyl)-3-(1,3-benzothiazol-2-yl)-2-methyl-2-phenylpropanamide
SMILESCC(Cc1nc2ccccc2s1)(C(=O)NC1CCC(N)CC1)c1ccccc1
InChIInChI=1S/C23H27N3OS/c1-23(16-7-3-2-4-8-16,22(27)25-18-13-11-17(24)12-14-18)15-21-26-19-9-5-6-10-20(19)28-21/h2-10,17-18H,11-15,24H2,1H3,(H,25,27)
InChIKeyPRBNLVSLVDMIRO-UHFFFAOYSA-N
XLogP4.18
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.56
LogP ≤ 54.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-aminocyclohexyl)-3-(1,3-benzothiazol-2-yl)-2-methyl-2-phenylpropanamide;dihydrochloride
CID 119476435
tert-butyl 4-[[3-(1,3-benzothiazol-2-yl)-2-methyl-2-phenylpropanoyl]amino]piperidine-1-carboxylate
CID 60560756
3-(1,3-benzothiazol-2-yl)-2-methyl-2-phenyl-N-piperidin-3-ylpropanamide;dihydrochloride
CID 119426384
2-(1,3-benzothiazol-2-ylmethyl)-3-(cyclopropylamino)-2-methyl-3-oxopropanoic acid
CID 114900324
(2S)-3-(1,3-benzothiazol-2-yl)-2-methyl-2-phenylpropanoic acid
CID 7129648
3-(1,3-benzothiazol-2-yl)-2-methyl-2-phenyl-N-(piperidin-3-ylmethyl)propanamide
CID 119461907
3-(1,3-benzothiazol-2-yl)-N-(2-hydroxyethyl)-2-methyl-2-phenylpropanamide
CID 110883737
N-(4-acetamidophenyl)-3-(1,3-benzothiazol-2-yl)-2-methyl-2-phenylpropanamide
CID 60617359
(2R)-2-[[3-(1,3-benzothiazol-2-yl)-2-methyl-2-phenylpropanoyl]amino]propanoic acid
CID 119243708
3-(1,3-benzothiazol-2-yl)-2-methyl-2-phenyl-N-pyridin-4-ylpropanamide
CID 43072482
2-oxopropyl (2S)-3-(1,3-benzothiazol-2-yl)-2-methyl-2-phenylpropanoate
CID 8973831
N-(4-aminocyclohexyl)-4-(1,3-benzothiazol-2-yl)butanamide;dihydrochloride
CID 119478669

Frequently Asked Questions

What is the IUPAC name of N-(4-aminocyclohexyl)-3-(1,3-benzothiazol-2-yl)-2-methyl-2-phenylpropanamide?
The IUPAC name of N-(4-aminocyclohexyl)-3-(1,3-benzothiazol-2-yl)-2-methyl-2-phenylpropanamide (CID 119476436) is N-(4-aminocyclohexyl)-3-(1,3-benzothiazol-2-yl)-2-methyl-2-phenylpropanamide.
What is the SMILES notation for N-(4-aminocyclohexyl)-3-(1,3-benzothiazol-2-yl)-2-methyl-2-phenylpropanamide?
The canonical SMILES for N-(4-aminocyclohexyl)-3-(1,3-benzothiazol-2-yl)-2-methyl-2-phenylpropanamide is CC(Cc1nc2ccccc2s1)(C(=O)NC1CCC(N)CC1)c1ccccc1.
What is the InChIKey of N-(4-aminocyclohexyl)-3-(1,3-benzothiazol-2-yl)-2-methyl-2-phenylpropanamide?
The InChIKey is PRBNLVSLVDMIRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3OS/c1-23(16-7-3-2-4-8-16,22(27)25-18-13-11-17(24)12-14-18)15-21-26-19-9-5-6-10-20(19)28-21/h2-10,17-18H,11-15,24H2,1H3,(H,25,27).
What are the key properties of N-(4-aminocyclohexyl)-3-(1,3-benzothiazol-2-yl)-2-methyl-2-phenylpropanamide?
N-(4-aminocyclohexyl)-3-(1,3-benzothiazol-2-yl)-2-methyl-2-phenylpropanamide has a molecular weight of 393.56 g/mol, XLogP of 4.18, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-aminocyclohexyl)-3-(1,3-benzothiazol-2-yl)-2-methyl-2-phenylpropanamide is sourced from PubChem (CID 119476436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).