(5-ethylthiophen-2-yl)methylcyanamide

C8H10N2S — CID 106011012

IUPAC(5-ethylthiophen-2-yl)methylcyanamide
SMILESCCc1ccc(CNC#N)s1
InChIInChI=1S/C8H10N2S/c1-2-7-3-4-8(11-7)5-10-6-9/h3-4,10H,2,5H2,1H3
InChIKeySZTMBOVCXCZYEN-UHFFFAOYSA-N
MW166.25 g/mol
LogP1.88
Rot. Bonds3

About (5-ethylthiophen-2-yl)methylcyanamide

(5-ethylthiophen-2-yl)methylcyanamide (PubChem CID 106011012) has the molecular formula C8H10N2S and a molecular weight of 166.25 g/mol. Its IUPAC name is (5-ethylthiophen-2-yl)methylcyanamide.

Molecular Properties

Compound Name(5-ethylthiophen-2-yl)methylcyanamide
PubChem CID106011012
Molecular FormulaC8H10N2S
Molecular Weight166.25 g/mol
Exact Mass166.06
IUPAC Name(5-ethylthiophen-2-yl)methylcyanamide
SMILESCCc1ccc(CNC#N)s1
InChIInChI=1S/C8H10N2S/c1-2-7-3-4-8(11-7)5-10-6-9/h3-4,10H,2,5H2,1H3
InChIKeySZTMBOVCXCZYEN-UHFFFAOYSA-N
XLogP1.88
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.25
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}, {'alert_name': 'enamine', 'substructure': 'N/A'}

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Related Compounds

Methiopropamine
CID 436156
Methiopropamine (N-methyl-1-(thiophen-2-yl)propan-2-amine)
CID 458582
N,N-Dimethyl-1-(thiophen-2-yl)methanamine
CID 95702
N-Methyl-1-(thiophen-2-yl)methanamine
CID 436153
N-isopropyl-N'-(2-thienylmethyl)thiourea
CID 972147
(Prop-2-en-1-yl)(thiophen-2-ylmethyl)amine
CID 2560646
Ethyl[(thiophen-2-yl)methyl]amine
CID 4716479
2-(Thiophen-2-yl)pyrrolidine
CID 339554
(5-Methylthiophen-2-yl)methanamine
CID 4313442
N-benzyl(5-methyl-2-thienyl)methanamine
CID 4721388
N'-[3-(thiophen-2-ylmethylamino)propyl]octane-1,8-diamine
CID 76324403
Cyclohexyl-(5-methyl-thiophen-2-ylmethyl)-amine
CID 17295952

Frequently Asked Questions

What is the IUPAC name of (5-ethylthiophen-2-yl)methylcyanamide?
The IUPAC name of (5-ethylthiophen-2-yl)methylcyanamide (CID 106011012) is (5-ethylthiophen-2-yl)methylcyanamide.
What is the SMILES notation for (5-ethylthiophen-2-yl)methylcyanamide?
The canonical SMILES for (5-ethylthiophen-2-yl)methylcyanamide is CCc1ccc(CNC#N)s1.
What is the InChIKey of (5-ethylthiophen-2-yl)methylcyanamide?
The InChIKey is SZTMBOVCXCZYEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2S/c1-2-7-3-4-8(11-7)5-10-6-9/h3-4,10H,2,5H2,1H3.
What are the key properties of (5-ethylthiophen-2-yl)methylcyanamide?
(5-ethylthiophen-2-yl)methylcyanamide has a molecular weight of 166.25 g/mol, XLogP of 1.88, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-ethylthiophen-2-yl)methylcyanamide is sourced from PubChem (CID 106011012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).