2-carbamothioyl-3-methyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]butanamide

C11H17N3O2S — CID 106372293

IUPAC2-carbamothioyl-3-methyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]butanamide
SMILESCc1cnc(CNC(=O)C(C(N)=S)C(C)C)o1
InChIInChI=1S/C11H17N3O2S/c1-6(2)9(10(12)17)11(15)14-5-8-13-4-7(3)16-8/h4,6,9H,5H2,1-3H3,(H2,12,17)(H,14,15)
InChIKeyMJUNMBYZMIYDTQ-UHFFFAOYSA-N
MW255.34 g/mol
LogP1.16
Rot. Bonds5

About 2-carbamothioyl-3-methyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]butanamide

2-carbamothioyl-3-methyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]butanamide (PubChem CID 106372293) has the molecular formula C11H17N3O2S and a molecular weight of 255.34 g/mol. Its IUPAC name is 2-carbamothioyl-3-methyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]butanamide.

Molecular Properties

Compound Name2-carbamothioyl-3-methyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]butanamide
PubChem CID106372293
Molecular FormulaC11H17N3O2S
Molecular Weight255.34 g/mol
Exact Mass255.10
IUPAC Name2-carbamothioyl-3-methyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]butanamide
SMILESCc1cnc(CNC(=O)C(C(N)=S)C(C)C)o1
InChIInChI=1S/C11H17N3O2S/c1-6(2)9(10(12)17)11(15)14-5-8-13-4-7(3)16-8/h4,6,9H,5H2,1-3H3,(H2,12,17)(H,14,15)
InChIKeyMJUNMBYZMIYDTQ-UHFFFAOYSA-N
XLogP1.16
TPSA81.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.34
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

(2S)-2-amino-3-methyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]butanamide
CID 103797057
N-[(5-methyl-1,3-oxazol-2-yl)methyl]-2-sulfanylpropanamide
CID 106377758
2-(methylamino)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]propanamide
CID 106371516
2-amino-N-[(5-methyl-1,3-oxazol-2-yl)methyl]butanediamide
CID 103827683
2-amino-N-[(5-methyl-1,3-oxazol-2-yl)methyl]butanamide
CID 103797047
2-carbamothioyl-3-methyl-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]butanamide
CID 114182415
2-(aminomethyl)-4-methyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]pentanamide
CID 113266895
2-amino-N-[(5-methyl-1,3-oxazol-2-yl)methyl]acetamide
CID 83622965
2-carbamothioyl-N-[(1,5-dimethylpyrazol-4-yl)methyl]-3-methylbutanamide
CID 106035313
1-methyl-3-[(5-methyl-1,3-oxazol-2-yl)methyl]thiourea
CID 83814579
3-amino-3-hydroxyimino-N-[(5-methyl-1,3-oxazol-2-yl)methyl]propanamide
CID 106375701
N-[(5-methyl-1,3-oxazol-2-yl)methyl]-2-piperazin-1-ylpropanamide
CID 114180578

Frequently Asked Questions

What is the IUPAC name of 2-carbamothioyl-3-methyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]butanamide?
The IUPAC name of 2-carbamothioyl-3-methyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]butanamide (CID 106372293) is 2-carbamothioyl-3-methyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]butanamide.
What is the SMILES notation for 2-carbamothioyl-3-methyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]butanamide?
The canonical SMILES for 2-carbamothioyl-3-methyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]butanamide is Cc1cnc(CNC(=O)C(C(N)=S)C(C)C)o1.
What is the InChIKey of 2-carbamothioyl-3-methyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]butanamide?
The InChIKey is MJUNMBYZMIYDTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O2S/c1-6(2)9(10(12)17)11(15)14-5-8-13-4-7(3)16-8/h4,6,9H,5H2,1-3H3,(H2,12,17)(H,14,15).
What are the key properties of 2-carbamothioyl-3-methyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]butanamide?
2-carbamothioyl-3-methyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]butanamide has a molecular weight of 255.34 g/mol, XLogP of 1.16, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-carbamothioyl-3-methyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]butanamide is sourced from PubChem (CID 106372293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).