2-carbamothioyl-2-methyl-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]butanamide

C10H15N3O2S2 — CID 106381468

IUPAC2-carbamothioyl-2-methyl-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]butanamide
SMILESCCC(C)(C(=O)NCc1csc(=O)[nH]1)C(N)=S
InChIInChI=1S/C10H15N3O2S2/c1-3-10(2,7(11)16)8(14)12-4-6-5-17-9(15)13-6/h5H,3-4H2,1-2H3,(H2,11,16)(H,12,14)(H,13,15)
InChIKeyWWVVMQDODQNWFI-UHFFFAOYSA-N
MW273.38 g/mol
LogP0.75
Rot. Bonds5

About 2-carbamothioyl-2-methyl-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]butanamide

2-carbamothioyl-2-methyl-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]butanamide (PubChem CID 106381468) has the molecular formula C10H15N3O2S2 and a molecular weight of 273.38 g/mol. Its IUPAC name is 2-carbamothioyl-2-methyl-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]butanamide.

Molecular Properties

Compound Name2-carbamothioyl-2-methyl-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]butanamide
PubChem CID106381468
Molecular FormulaC10H15N3O2S2
Molecular Weight273.38 g/mol
Exact Mass273.06
IUPAC Name2-carbamothioyl-2-methyl-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]butanamide
SMILESCCC(C)(C(=O)NCc1csc(=O)[nH]1)C(N)=S
InChIInChI=1S/C10H15N3O2S2/c1-3-10(2,7(11)16)8(14)12-4-6-5-17-9(15)13-6/h5H,3-4H2,1-2H3,(H2,11,16)(H,12,14)(H,13,15)
InChIKeyWWVVMQDODQNWFI-UHFFFAOYSA-N
XLogP0.75
TPSA87.98 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 50.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2,2-dimethyl-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]propanamide
CID 103775034
N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]butanamide
CID 103775079
(2S)-2-amino-3-methyl-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]butanamide
CID 103950581
N-methyl-4-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]butanamide
CID 106380694
2-methyl-3-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]propanamide
CID 106380750
N-methyl-3-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]propanamide
CID 106380943
N-ethyl-3-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]propanamide
CID 106380944
N,N-dimethyl-3-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]propanamide
CID 106381103
3-amino-2-methyl-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]butanamide
CID 106381151
2-(aminomethyl)-4,4-dimethyl-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]pentanamide
CID 106381155
3-amino-2-methyl-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]propanamide
CID 106381161
3-amino-3-methyl-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]butanamide
CID 106381194

Frequently Asked Questions

What is the IUPAC name of 2-carbamothioyl-2-methyl-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]butanamide?
The IUPAC name of 2-carbamothioyl-2-methyl-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]butanamide (CID 106381468) is 2-carbamothioyl-2-methyl-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]butanamide.
What is the SMILES notation for 2-carbamothioyl-2-methyl-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]butanamide?
The canonical SMILES for 2-carbamothioyl-2-methyl-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]butanamide is CCC(C)(C(=O)NCc1csc(=O)[nH]1)C(N)=S.
What is the InChIKey of 2-carbamothioyl-2-methyl-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]butanamide?
The InChIKey is WWVVMQDODQNWFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O2S2/c1-3-10(2,7(11)16)8(14)12-4-6-5-17-9(15)13-6/h5H,3-4H2,1-2H3,(H2,11,16)(H,12,14)(H,13,15).
What are the key properties of 2-carbamothioyl-2-methyl-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]butanamide?
2-carbamothioyl-2-methyl-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]butanamide has a molecular weight of 273.38 g/mol, XLogP of 0.75, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-carbamothioyl-2-methyl-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]butanamide is sourced from PubChem (CID 106381468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).