N-[1-(4,5-dihydro-1,3-thiazol-2-ylamino)-3-methyl-1-oxobutan-2-yl]cyclohexanecarboxamide

C15H25N3O2S — CID 3936807

IUPACN-[1-(4,5-dihydro-1,3-thiazol-2-ylamino)-3-methyl-1-oxobutan-2-yl]cyclohexanecarboxamide
SMILESCC(C)C(NC(=O)C1CCCCC1)C(=O)NC1=NCCS1
InChIInChI=1S/C15H25N3O2S/c1-10(2)12(14(20)18-15-16-8-9-21-15)17-13(19)11-6-4-3-5-7-11/h10-12H,3-9H2,1-2H3,(H,17,19)(H,16,18,20)
InChIKeyFRKLLUCVIUJCTF-UHFFFAOYSA-N
MW311.45 g/mol
LogP1.93
Rot. Bonds4

About N-[1-(4,5-dihydro-1,3-thiazol-2-ylamino)-3-methyl-1-oxobutan-2-yl]cyclohexanecarboxamide

N-[1-(4,5-dihydro-1,3-thiazol-2-ylamino)-3-methyl-1-oxobutan-2-yl]cyclohexanecarboxamide (PubChem CID 3936807) has the molecular formula C15H25N3O2S and a molecular weight of 311.45 g/mol. Its IUPAC name is N-[1-(4,5-dihydro-1,3-thiazol-2-ylamino)-3-methyl-1-oxobutan-2-yl]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-[1-(4,5-dihydro-1,3-thiazol-2-ylamino)-3-methyl-1-oxobutan-2-yl]cyclohexanecarboxamide
PubChem CID3936807
Molecular FormulaC15H25N3O2S
Molecular Weight311.45 g/mol
Exact Mass311.17
IUPAC NameN-[1-(4,5-dihydro-1,3-thiazol-2-ylamino)-3-methyl-1-oxobutan-2-yl]cyclohexanecarboxamide
SMILESCC(C)C(NC(=O)C1CCCCC1)C(=O)NC1=NCCS1
InChIInChI=1S/C15H25N3O2S/c1-10(2)12(14(20)18-15-16-8-9-21-15)17-13(19)11-6-4-3-5-7-11/h10-12H,3-9H2,1-2H3,(H,17,19)(H,16,18,20)
InChIKeyFRKLLUCVIUJCTF-UHFFFAOYSA-N
XLogP1.93
TPSA70.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.45
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-(4,5-dihydro-1,3-thiazol-2-ylamino)-3-methyl-1-oxobutan-2-yl]cyclohexanecarboxamide?
The IUPAC name of N-[1-(4,5-dihydro-1,3-thiazol-2-ylamino)-3-methyl-1-oxobutan-2-yl]cyclohexanecarboxamide (CID 3936807) is N-[1-(4,5-dihydro-1,3-thiazol-2-ylamino)-3-methyl-1-oxobutan-2-yl]cyclohexanecarboxamide.
What is the SMILES notation for N-[1-(4,5-dihydro-1,3-thiazol-2-ylamino)-3-methyl-1-oxobutan-2-yl]cyclohexanecarboxamide?
The canonical SMILES for N-[1-(4,5-dihydro-1,3-thiazol-2-ylamino)-3-methyl-1-oxobutan-2-yl]cyclohexanecarboxamide is CC(C)C(NC(=O)C1CCCCC1)C(=O)NC1=NCCS1.
What is the InChIKey of N-[1-(4,5-dihydro-1,3-thiazol-2-ylamino)-3-methyl-1-oxobutan-2-yl]cyclohexanecarboxamide?
The InChIKey is FRKLLUCVIUJCTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O2S/c1-10(2)12(14(20)18-15-16-8-9-21-15)17-13(19)11-6-4-3-5-7-11/h10-12H,3-9H2,1-2H3,(H,17,19)(H,16,18,20).
What are the key properties of N-[1-(4,5-dihydro-1,3-thiazol-2-ylamino)-3-methyl-1-oxobutan-2-yl]cyclohexanecarboxamide?
N-[1-(4,5-dihydro-1,3-thiazol-2-ylamino)-3-methyl-1-oxobutan-2-yl]cyclohexanecarboxamide has a molecular weight of 311.45 g/mol, XLogP of 1.93, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4,5-dihydro-1,3-thiazol-2-ylamino)-3-methyl-1-oxobutan-2-yl]cyclohexanecarboxamide is sourced from PubChem (CID 3936807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).