1-carbamothioyl-3-methyl-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]cyclobutane-1-carboxamide

C13H19N3OS2 — CID 80591552

IUPAC1-carbamothioyl-3-methyl-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]cyclobutane-1-carboxamide
SMILESCc1csc(C(C)NC(=O)C2(C(N)=S)CC(C)C2)n1
InChIInChI=1S/C13H19N3OS2/c1-7-4-13(5-7,11(14)18)12(17)16-9(3)10-15-8(2)6-19-10/h6-7,9H,4-5H2,1-3H3,(H2,14,18)(H,16,17)
InChIKeyWKFSKUNUAWEXGU-UHFFFAOYSA-N
MW297.45 g/mol
LogP2.33
Rot. Bonds4

About 1-carbamothioyl-3-methyl-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]cyclobutane-1-carboxamide

1-carbamothioyl-3-methyl-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]cyclobutane-1-carboxamide (PubChem CID 80591552) has the molecular formula C13H19N3OS2 and a molecular weight of 297.45 g/mol. Its IUPAC name is 1-carbamothioyl-3-methyl-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]cyclobutane-1-carboxamide.

Molecular Properties

Compound Name1-carbamothioyl-3-methyl-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]cyclobutane-1-carboxamide
PubChem CID80591552
Molecular FormulaC13H19N3OS2
Molecular Weight297.45 g/mol
Exact Mass297.10
IUPAC Name1-carbamothioyl-3-methyl-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]cyclobutane-1-carboxamide
SMILESCc1csc(C(C)NC(=O)C2(C(N)=S)CC(C)C2)n1
InChIInChI=1S/C13H19N3OS2/c1-7-4-13(5-7,11(14)18)12(17)16-9(3)10-15-8(2)6-19-10/h6-7,9H,4-5H2,1-3H3,(H2,14,18)(H,16,17)
InChIKeyWKFSKUNUAWEXGU-UHFFFAOYSA-N
XLogP2.33
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.45
LogP ≤ 52.33
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

1-carbamothioyl-3-methyl-N-[1-(4-methylphenyl)ethyl]cyclobutane-1-carboxamide
CID 80588951
1-amino-3-ethoxy-2,2-dimethyl-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]cyclobutane-1-carboxamide
CID 114829359
N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]-1-(trifluoromethyl)cyclopentane-1-carboxamide
CID 154802907
2-amino-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]propanamide;dihydrochloride
CID 119875872
3-methyl-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]piperidine-2-carboxamide
CID 107068241
2-methyl-3-[1-(4-methyl-1,3-thiazol-2-yl)ethylamino]-3-oxopropanoic acid
CID 114898569
1-carbamothioyl-3-methyl-N-(3-methylpentan-2-yl)cyclobutane-1-carboxamide
CID 80589978
(2R)-2-[1-(4-methyl-1,3-thiazol-2-yl)ethylcarbamoylamino]propanoic acid
CID 78995805
3-bromo-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]propanamide
CID 82108654
1,1-diethyl-3-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]urea
CID 115609023
2-amino-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]-2-(oxan-4-yl)acetamide;dihydrochloride
CID 120799857
ethyl 4-[1-(4-methyl-1,3-thiazol-2-yl)ethylamino]-4-oxobutanoate
CID 63022935

Frequently Asked Questions

What is the IUPAC name of 1-carbamothioyl-3-methyl-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]cyclobutane-1-carboxamide?
The IUPAC name of 1-carbamothioyl-3-methyl-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]cyclobutane-1-carboxamide (CID 80591552) is 1-carbamothioyl-3-methyl-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]cyclobutane-1-carboxamide.
What is the SMILES notation for 1-carbamothioyl-3-methyl-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]cyclobutane-1-carboxamide?
The canonical SMILES for 1-carbamothioyl-3-methyl-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]cyclobutane-1-carboxamide is Cc1csc(C(C)NC(=O)C2(C(N)=S)CC(C)C2)n1.
What is the InChIKey of 1-carbamothioyl-3-methyl-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]cyclobutane-1-carboxamide?
The InChIKey is WKFSKUNUAWEXGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3OS2/c1-7-4-13(5-7,11(14)18)12(17)16-9(3)10-15-8(2)6-19-10/h6-7,9H,4-5H2,1-3H3,(H2,14,18)(H,16,17).
What are the key properties of 1-carbamothioyl-3-methyl-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]cyclobutane-1-carboxamide?
1-carbamothioyl-3-methyl-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]cyclobutane-1-carboxamide has a molecular weight of 297.45 g/mol, XLogP of 2.33, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-carbamothioyl-3-methyl-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]cyclobutane-1-carboxamide is sourced from PubChem (CID 80591552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).