1-carbamothioyl-N-(1,3-thiazol-4-ylmethyl)cyclopentane-1-carboxamide

C11H15N3OS2 — CID 63824661

IUPAC1-carbamothioyl-N-(1,3-thiazol-4-ylmethyl)cyclopentane-1-carboxamide
SMILESNC(=S)C1(C(=O)NCc2cscn2)CCCC1
InChIInChI=1S/C11H15N3OS2/c12-9(16)11(3-1-2-4-11)10(15)13-5-8-6-17-7-14-8/h6-7H,1-5H2,(H2,12,16)(H,13,15)
InChIKeyRHLKXQPXNYOSMT-UHFFFAOYSA-N
MW269.39 g/mol
LogP1.61
Rot. Bonds4

About 1-carbamothioyl-N-(1,3-thiazol-4-ylmethyl)cyclopentane-1-carboxamide

1-carbamothioyl-N-(1,3-thiazol-4-ylmethyl)cyclopentane-1-carboxamide (PubChem CID 63824661) has the molecular formula C11H15N3OS2 and a molecular weight of 269.39 g/mol. Its IUPAC name is 1-carbamothioyl-N-(1,3-thiazol-4-ylmethyl)cyclopentane-1-carboxamide.

Molecular Properties

Compound Name1-carbamothioyl-N-(1,3-thiazol-4-ylmethyl)cyclopentane-1-carboxamide
PubChem CID63824661
Molecular FormulaC11H15N3OS2
Molecular Weight269.39 g/mol
Exact Mass269.07
IUPAC Name1-carbamothioyl-N-(1,3-thiazol-4-ylmethyl)cyclopentane-1-carboxamide
SMILESNC(=S)C1(C(=O)NCc2cscn2)CCCC1
InChIInChI=1S/C11H15N3OS2/c12-9(16)11(3-1-2-4-11)10(15)13-5-8-6-17-7-14-8/h6-7H,1-5H2,(H2,12,16)(H,13,15)
InChIKeyRHLKXQPXNYOSMT-UHFFFAOYSA-N
XLogP1.61
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 51.61
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-(aminomethyl)-N-(1,3-thiazol-4-ylmethyl)cyclohexane-1-carboxamide
CID 115437889
1-carbamothioyl-N-(pyridin-2-ylmethyl)cyclobutane-1-carboxamide
CID 80592731
1-(N'-hydroxycarbamimidoyl)-N-[2-(1,3-thiazol-4-yl)ethyl]cyclopentane-1-carboxamide
CID 77020373
1-carbamothioyl-N-[(4-fluorophenyl)methyl]cyclopentane-1-carboxamide
CID 55037907
1-(1,3-thiazol-4-ylmethylcarbamoylamino)cyclopentane-1-carboxylic acid
CID 63823970
N-[(4-bromothiophen-2-yl)methyl]-1-carbamothioylcyclobutane-1-carboxamide
CID 80591384
1-carbamothioyl-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]cyclopentane-1-carboxamide
CID 106372330
1-carbamothioyl-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]cyclopropane-1-carboxamide
CID 114127764
1-carbamothioyl-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]cycloheptane-1-carboxamide
CID 62116987
1-carbamothioyl-N-[(1,5-dimethylpyrazol-4-yl)methyl]cyclopentane-1-carboxamide
CID 106035310
2-[1-[2-oxo-2-(1,3-thiazol-4-ylmethylamino)ethyl]cyclohexyl]acetic acid
CID 62198087
1-methyl-3-(1,3-thiazol-4-ylmethyl)urea
CID 23548401

Frequently Asked Questions

What is the IUPAC name of 1-carbamothioyl-N-(1,3-thiazol-4-ylmethyl)cyclopentane-1-carboxamide?
The IUPAC name of 1-carbamothioyl-N-(1,3-thiazol-4-ylmethyl)cyclopentane-1-carboxamide (CID 63824661) is 1-carbamothioyl-N-(1,3-thiazol-4-ylmethyl)cyclopentane-1-carboxamide.
What is the SMILES notation for 1-carbamothioyl-N-(1,3-thiazol-4-ylmethyl)cyclopentane-1-carboxamide?
The canonical SMILES for 1-carbamothioyl-N-(1,3-thiazol-4-ylmethyl)cyclopentane-1-carboxamide is NC(=S)C1(C(=O)NCc2cscn2)CCCC1.
What is the InChIKey of 1-carbamothioyl-N-(1,3-thiazol-4-ylmethyl)cyclopentane-1-carboxamide?
The InChIKey is RHLKXQPXNYOSMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3OS2/c12-9(16)11(3-1-2-4-11)10(15)13-5-8-6-17-7-14-8/h6-7H,1-5H2,(H2,12,16)(H,13,15).
What are the key properties of 1-carbamothioyl-N-(1,3-thiazol-4-ylmethyl)cyclopentane-1-carboxamide?
1-carbamothioyl-N-(1,3-thiazol-4-ylmethyl)cyclopentane-1-carboxamide has a molecular weight of 269.39 g/mol, XLogP of 1.61, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-carbamothioyl-N-(1,3-thiazol-4-ylmethyl)cyclopentane-1-carboxamide is sourced from PubChem (CID 63824661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).