2-carbamothioyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]butanamide

C10H15N3OS2 — CID 63283874

IUPAC2-carbamothioyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]butanamide
SMILESCCC(C(=O)NCc1scnc1C)C(N)=S
InChIInChI=1S/C10H15N3OS2/c1-3-7(9(11)15)10(14)12-4-8-6(2)13-5-16-8/h5,7H,3-4H2,1-2H3,(H2,11,15)(H,12,14)
InChIKeyFMEKDGCFPZABCT-UHFFFAOYSA-N
MW257.38 g/mol
LogP1.38
Rot. Bonds5

About 2-carbamothioyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]butanamide

2-carbamothioyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]butanamide (PubChem CID 63283874) has the molecular formula C10H15N3OS2 and a molecular weight of 257.38 g/mol. Its IUPAC name is 2-carbamothioyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]butanamide.

Molecular Properties

Compound Name2-carbamothioyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]butanamide
PubChem CID63283874
Molecular FormulaC10H15N3OS2
Molecular Weight257.38 g/mol
Exact Mass257.07
IUPAC Name2-carbamothioyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]butanamide
SMILESCCC(C(=O)NCc1scnc1C)C(N)=S
InChIInChI=1S/C10H15N3OS2/c1-3-7(9(11)15)10(14)12-4-8-6(2)13-5-16-8/h5,7H,3-4H2,1-2H3,(H2,11,15)(H,12,14)
InChIKeyFMEKDGCFPZABCT-UHFFFAOYSA-N
XLogP1.38
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 51.38
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

(2R)-2-hydroxy-N-[(4-methyl-1,3-thiazol-5-yl)methyl]propanamide
CID 130609015
2-methyl-3-[(4-methyl-1,3-thiazol-5-yl)methylamino]-3-oxopropanoic acid
CID 114898424
N-[(4-methyl-1,3-thiazol-5-yl)methyl]propanamide
CID 63373165
(2R)-2-amino-4-methylsulfanyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]butanamide
CID 104908447
3-methyl-2-[(4-methyl-1,3-thiazol-5-yl)methylamino]butanamide
CID 103699284
1-(3-ethyl-2-hydroxypentyl)-3-[(4-methyl-1,3-thiazol-5-yl)methyl]urea
CID 111115235
2-carbamothioyl-N-[2-(1,3-thiazol-2-yl)ethyl]butanamide
CID 63240426
1-[(4-methyl-1,3-thiazol-5-yl)methyl]-3-propylurea
CID 115612251
2-carbamothioyl-N-[2-(1,3-thiazol-4-yl)ethyl]butanamide
CID 63826075
3-amino-3-hydroxyimino-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-2-phenylpropanamide
CID 76993736
2,2-dimethyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]propanamide
CID 63373273
2-bromo-N-[(4-methyl-1,3-thiazol-5-yl)methyl]acetamide
CID 63681267

Frequently Asked Questions

What is the IUPAC name of 2-carbamothioyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]butanamide?
The IUPAC name of 2-carbamothioyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]butanamide (CID 63283874) is 2-carbamothioyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]butanamide.
What is the SMILES notation for 2-carbamothioyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]butanamide?
The canonical SMILES for 2-carbamothioyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]butanamide is CCC(C(=O)NCc1scnc1C)C(N)=S.
What is the InChIKey of 2-carbamothioyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]butanamide?
The InChIKey is FMEKDGCFPZABCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3OS2/c1-3-7(9(11)15)10(14)12-4-8-6(2)13-5-16-8/h5,7H,3-4H2,1-2H3,(H2,11,15)(H,12,14).
What are the key properties of 2-carbamothioyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]butanamide?
2-carbamothioyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]butanamide has a molecular weight of 257.38 g/mol, XLogP of 1.38, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-carbamothioyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]butanamide is sourced from PubChem (CID 63283874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).