1-carbamothioyl-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]cyclopropane-1-carboxamide

C11H15N3OS2 — CID 114127764

IUPAC1-carbamothioyl-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]cyclopropane-1-carboxamide
SMILESCCc1cnc(CNC(=O)C2(C(N)=S)CC2)s1
InChIInChI=1S/C11H15N3OS2/c1-2-7-5-13-8(17-7)6-14-10(15)11(3-4-11)9(12)16/h5H,2-4,6H2,1H3,(H2,12,16)(H,14,15)
InChIKeyJJRQQCPXXZBBGP-UHFFFAOYSA-N
MW269.39 g/mol
LogP1.39
Rot. Bonds5

About 1-carbamothioyl-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]cyclopropane-1-carboxamide

1-carbamothioyl-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]cyclopropane-1-carboxamide (PubChem CID 114127764) has the molecular formula C11H15N3OS2 and a molecular weight of 269.39 g/mol. Its IUPAC name is 1-carbamothioyl-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-carbamothioyl-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]cyclopropane-1-carboxamide
PubChem CID114127764
Molecular FormulaC11H15N3OS2
Molecular Weight269.39 g/mol
Exact Mass269.07
IUPAC Name1-carbamothioyl-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]cyclopropane-1-carboxamide
SMILESCCc1cnc(CNC(=O)C2(C(N)=S)CC2)s1
InChIInChI=1S/C11H15N3OS2/c1-2-7-5-13-8(17-7)6-14-10(15)11(3-4-11)9(12)16/h5H,2-4,6H2,1H3,(H2,12,16)(H,14,15)
InChIKeyJJRQQCPXXZBBGP-UHFFFAOYSA-N
XLogP1.39
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-carbamothioyl-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]cyclopropane-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-amino-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]cyclopropane-1-carboxamide
CID 103814833
1-amino-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]cyclopentane-1-carboxamide
CID 113267621
1-cyano-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]cyclohexane-1-carboxamide
CID 103709251
1-carbamothioyl-N-[(3-ethylthiophen-2-yl)methyl]cyclopropane-1-carboxamide
CID 80590985
ethyl 2-[(5-ethyl-1,3-thiazol-2-yl)methylcarbamoylamino]acetate
CID 113245875
N-[(5-ethyl-1,3-thiazol-2-yl)methyl]morpholine-4-carboxamide
CID 113246126
2-(4-aminophenyl)-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]acetamide
CID 103814839
2-amino-N-[2-[(5-ethyl-1,3-thiazol-2-yl)methylamino]-2-oxoethyl]acetamide
CID 104872602
3-amino-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-2,2-dimethylpropanamide
CID 103814857
N-[(5-ethyl-1,3-thiazol-2-yl)methyl]azepane-1-carboxamide
CID 71867664
3-bromo-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]propanamide
CID 82110235
1-carbamothioyl-N-(1,3-thiazol-4-ylmethyl)cyclopentane-1-carboxamide
CID 63824661

Frequently Asked Questions

What is the IUPAC name of 1-carbamothioyl-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]cyclopropane-1-carboxamide?
The IUPAC name of 1-carbamothioyl-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]cyclopropane-1-carboxamide (CID 114127764) is 1-carbamothioyl-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]cyclopropane-1-carboxamide.
What is the SMILES notation for 1-carbamothioyl-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]cyclopropane-1-carboxamide?
The canonical SMILES for 1-carbamothioyl-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]cyclopropane-1-carboxamide is CCc1cnc(CNC(=O)C2(C(N)=S)CC2)s1.
What is the InChIKey of 1-carbamothioyl-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]cyclopropane-1-carboxamide?
The InChIKey is JJRQQCPXXZBBGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3OS2/c1-2-7-5-13-8(17-7)6-14-10(15)11(3-4-11)9(12)16/h5H,2-4,6H2,1H3,(H2,12,16)(H,14,15).
What are the key properties of 1-carbamothioyl-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]cyclopropane-1-carboxamide?
1-carbamothioyl-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]cyclopropane-1-carboxamide has a molecular weight of 269.39 g/mol, XLogP of 1.39, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-carbamothioyl-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 114127764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).