1-(thiophen-2-ylmethyl)pyrrole-2-carbothioamide

C10H10N2S2 — CID 114653630

IUPAC1-(thiophen-2-ylmethyl)pyrrole-2-carbothioamide
SMILESNC(=S)c1cccn1Cc1cccs1
InChIInChI=1S/C10H10N2S2/c11-10(13)9-4-1-5-12(9)7-8-3-2-6-14-8/h1-6H,7H2,(H2,11,13)
InChIKeyPWCQYHTVLLCIMC-UHFFFAOYSA-N
MW222.34 g/mol
LogP2.23
Rot. Bonds3

About 1-(thiophen-2-ylmethyl)pyrrole-2-carbothioamide

1-(thiophen-2-ylmethyl)pyrrole-2-carbothioamide (PubChem CID 114653630) has the molecular formula C10H10N2S2 and a molecular weight of 222.34 g/mol. Its IUPAC name is 1-(thiophen-2-ylmethyl)pyrrole-2-carbothioamide.

Molecular Properties

Compound Name1-(thiophen-2-ylmethyl)pyrrole-2-carbothioamide
PubChem CID114653630
Molecular FormulaC10H10N2S2
Molecular Weight222.34 g/mol
Exact Mass222.03
IUPAC Name1-(thiophen-2-ylmethyl)pyrrole-2-carbothioamide
SMILESNC(=S)c1cccn1Cc1cccs1
InChIInChI=1S/C10H10N2S2/c11-10(13)9-4-1-5-12(9)7-8-3-2-6-14-8/h1-6H,7H2,(H2,11,13)
InChIKeyPWCQYHTVLLCIMC-UHFFFAOYSA-N
XLogP2.23
TPSA30.95 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.34
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(thiophen-3-ylmethyl)pyrrole-2-carbothioamide
CID 114654220
N-[(2R)-1-amino-1-oxopropan-2-yl]-1-(thiophen-2-ylmethyl)pyrrole-2-carboxamide
CID 96563172
N-(3-aminopropyl)-1-(thiophen-2-ylmethyl)pyrrole-2-carboxamide
CID 119408953
N-(2-amino-2-ethylbutyl)-1-(thiophen-2-ylmethyl)pyrrole-2-carboxamide
CID 119643874
(4-aminopiperidin-1-yl)-[1-(thiophen-2-ylmethyl)pyrrol-2-yl]methanone;hydrochloride
CID 119376847
1-[(4-bromophenyl)methyl]pyrrole-2-carbothioamide
CID 114654124
N-(3-aminobutyl)-1-(thiophen-2-ylmethyl)pyrrole-2-carboxamide;hydrochloride
CID 119499620
3-[[1-(thiophen-2-ylmethyl)pyrrole-2-carbonyl]amino]butanoic acid
CID 119221189
1-(thiophen-2-ylmethyl)pyrrole-2-carbaldehyde
CID 11137952
1-[(5-bromo-2-pyridinyl)methyl]pyrrole-2-carbothioamide
CID 114653975
2-[2-[(2-carbamothioylpyrrol-1-yl)methyl]phenyl]acetic acid
CID 114653807
5-amino-3-propan-2-yl-1-[1-(thiophen-2-ylmethyl)pyrrole-2-carbonyl]pyrazole-4-carboxamide
CID 167763328

Frequently Asked Questions

What is the IUPAC name of 1-(thiophen-2-ylmethyl)pyrrole-2-carbothioamide?
The IUPAC name of 1-(thiophen-2-ylmethyl)pyrrole-2-carbothioamide (CID 114653630) is 1-(thiophen-2-ylmethyl)pyrrole-2-carbothioamide.
What is the SMILES notation for 1-(thiophen-2-ylmethyl)pyrrole-2-carbothioamide?
The canonical SMILES for 1-(thiophen-2-ylmethyl)pyrrole-2-carbothioamide is NC(=S)c1cccn1Cc1cccs1.
What is the InChIKey of 1-(thiophen-2-ylmethyl)pyrrole-2-carbothioamide?
The InChIKey is PWCQYHTVLLCIMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2S2/c11-10(13)9-4-1-5-12(9)7-8-3-2-6-14-8/h1-6H,7H2,(H2,11,13).
What are the key properties of 1-(thiophen-2-ylmethyl)pyrrole-2-carbothioamide?
1-(thiophen-2-ylmethyl)pyrrole-2-carbothioamide has a molecular weight of 222.34 g/mol, XLogP of 2.23, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(thiophen-2-ylmethyl)pyrrole-2-carbothioamide is sourced from PubChem (CID 114653630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).