[(2R)-1-(cyclohexylamino)-3-methyl-1-oxobutan-2-yl] 4-oxo-4-(1,3-thiazol-2-ylamino)butanoate

C18H27N3O4S — CID 7412238

IUPAC[(2R)-1-(cyclohexylamino)-3-methyl-1-oxobutan-2-yl] 4-oxo-4-(1,3-thiazol-2-ylamino)butanoate
SMILESCC(C)[C@@H](OC(=O)CCC(=O)Nc1nccs1)C(=O)NC1CCCCC1
InChIInChI=1S/C18H27N3O4S/c1-12(2)16(17(24)20-13-6-4-3-5-7-13)25-15(23)9-8-14(22)21-18-19-10-11-26-18/h10-13,16H,3-9H2,1-2H3,(H,20,24)(H,19,21,22)/t16-/m1/s1
InChIKeyKEHZQTOTUGHQPF-MRXNPFEDSA-N
MW381.50 g/mol
LogP2.88
Rot. Bonds8

About [(2R)-1-(cyclohexylamino)-3-methyl-1-oxobutan-2-yl] 4-oxo-4-(1,3-thiazol-2-ylamino)butanoate

[(2R)-1-(cyclohexylamino)-3-methyl-1-oxobutan-2-yl] 4-oxo-4-(1,3-thiazol-2-ylamino)butanoate (PubChem CID 7412238) has the molecular formula C18H27N3O4S and a molecular weight of 381.50 g/mol. Its IUPAC name is [(2R)-1-(cyclohexylamino)-3-methyl-1-oxobutan-2-yl] 4-oxo-4-(1,3-thiazol-2-ylamino)butanoate.

Molecular Properties

Compound Name[(2R)-1-(cyclohexylamino)-3-methyl-1-oxobutan-2-yl] 4-oxo-4-(1,3-thiazol-2-ylamino)butanoate
PubChem CID7412238
Molecular FormulaC18H27N3O4S
Molecular Weight381.50 g/mol
Exact Mass381.17
IUPAC Name[(2R)-1-(cyclohexylamino)-3-methyl-1-oxobutan-2-yl] 4-oxo-4-(1,3-thiazol-2-ylamino)butanoate
SMILESCC(C)[C@@H](OC(=O)CCC(=O)Nc1nccs1)C(=O)NC1CCCCC1
InChIInChI=1S/C18H27N3O4S/c1-12(2)16(17(24)20-13-6-4-3-5-7-13)25-15(23)9-8-14(22)21-18-19-10-11-26-18/h10-13,16H,3-9H2,1-2H3,(H,20,24)(H,19,21,22)/t16-/m1/s1
InChIKeyKEHZQTOTUGHQPF-MRXNPFEDSA-N
XLogP2.88
TPSA97.39 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.50
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-cyclopentyl-N-(1,3-thiazol-2-yl)propanamide
CID 141028315
N-[3-oxo-3-(1,3-thiazol-2-ylamino)propyl]cyclohexanecarboxamide
CID 50875911
(2S)-2-acetamido-2-cyclopentyl-N-(1,3-thiazol-2-yl)acetamide
CID 25363384
N'-[2-(cyclopentylamino)-2-oxoethyl]-N'-[(4-fluorophenyl)methyl]-N-(1,3-thiazol-2-yl)butanediamide
CID 3205407
2-cyclohexylsulfanyl-N-(1,3-thiazol-2-yl)acetamide
CID 2434094
[1-(cyclohexylamino)-3-methyl-1-oxobutan-2-yl] thiophene-2-carboxylate
CID 3220263
N'-[1-(1-adamantyl)ethyl]-N-(1,3-thiazol-2-yl)butanediamide
CID 51117811
1-cyclopropyl-3-(1,3-thiazol-2-yl)urea
CID 108887577
5-amino-4-methyl-N-(1,3-thiazol-2-yl)pentanamide
CID 82682761
N,N'-bis(1,3-thiazol-2-yl)decanediamide
CID 17080102
2-[cyclohexyl-(2-methoxyacetyl)amino]-N-(1,3-thiazol-2-yl)acetamide
CID 3290729
(2S)-2-piperidin-1-yl-N-(1,3-thiazol-2-yl)propanamide
CID 40932668

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-(cyclohexylamino)-3-methyl-1-oxobutan-2-yl] 4-oxo-4-(1,3-thiazol-2-ylamino)butanoate?
The IUPAC name of [(2R)-1-(cyclohexylamino)-3-methyl-1-oxobutan-2-yl] 4-oxo-4-(1,3-thiazol-2-ylamino)butanoate (CID 7412238) is [(2R)-1-(cyclohexylamino)-3-methyl-1-oxobutan-2-yl] 4-oxo-4-(1,3-thiazol-2-ylamino)butanoate.
What is the SMILES notation for [(2R)-1-(cyclohexylamino)-3-methyl-1-oxobutan-2-yl] 4-oxo-4-(1,3-thiazol-2-ylamino)butanoate?
The canonical SMILES for [(2R)-1-(cyclohexylamino)-3-methyl-1-oxobutan-2-yl] 4-oxo-4-(1,3-thiazol-2-ylamino)butanoate is CC(C)[C@@H](OC(=O)CCC(=O)Nc1nccs1)C(=O)NC1CCCCC1.
What is the InChIKey of [(2R)-1-(cyclohexylamino)-3-methyl-1-oxobutan-2-yl] 4-oxo-4-(1,3-thiazol-2-ylamino)butanoate?
The InChIKey is KEHZQTOTUGHQPF-MRXNPFEDSA-N. The full InChI is InChI=1S/C18H27N3O4S/c1-12(2)16(17(24)20-13-6-4-3-5-7-13)25-15(23)9-8-14(22)21-18-19-10-11-26-18/h10-13,16H,3-9H2,1-2H3,(H,20,24)(H,19,21,22)/t16-/m1/s1.
What are the key properties of [(2R)-1-(cyclohexylamino)-3-methyl-1-oxobutan-2-yl] 4-oxo-4-(1,3-thiazol-2-ylamino)butanoate?
[(2R)-1-(cyclohexylamino)-3-methyl-1-oxobutan-2-yl] 4-oxo-4-(1,3-thiazol-2-ylamino)butanoate has a molecular weight of 381.50 g/mol, XLogP of 2.88, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-(cyclohexylamino)-3-methyl-1-oxobutan-2-yl] 4-oxo-4-(1,3-thiazol-2-ylamino)butanoate is sourced from PubChem (CID 7412238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).