4-[(5-ethylthiophen-2-yl)methylamino]pyridine-2-carbothioamide

C13H15N3S2 — CID 106010377

IUPAC4-[(5-ethylthiophen-2-yl)methylamino]pyridine-2-carbothioamide
SMILESCCc1ccc(CNc2ccnc(C(N)=S)c2)s1
InChIInChI=1S/C13H15N3S2/c1-2-10-3-4-11(18-10)8-16-9-5-6-15-12(7-9)13(14)17/h3-7H,2,8H2,1H3,(H2,14,17)(H,15,16)
InChIKeyFUGKDPGODHFGRX-UHFFFAOYSA-N
MW277.42 g/mol
LogP2.95
Rot. Bonds5

About 4-[(5-ethylthiophen-2-yl)methylamino]pyridine-2-carbothioamide

4-[(5-ethylthiophen-2-yl)methylamino]pyridine-2-carbothioamide (PubChem CID 106010377) has the molecular formula C13H15N3S2 and a molecular weight of 277.42 g/mol. Its IUPAC name is 4-[(5-ethylthiophen-2-yl)methylamino]pyridine-2-carbothioamide.

Molecular Properties

Compound Name4-[(5-ethylthiophen-2-yl)methylamino]pyridine-2-carbothioamide
PubChem CID106010377
Molecular FormulaC13H15N3S2
Molecular Weight277.42 g/mol
Exact Mass277.07
IUPAC Name4-[(5-ethylthiophen-2-yl)methylamino]pyridine-2-carbothioamide
SMILESCCc1ccc(CNc2ccnc(C(N)=S)c2)s1
InChIInChI=1S/C13H15N3S2/c1-2-10-3-4-11(18-10)8-16-9-5-6-15-12(7-9)13(14)17/h3-7H,2,8H2,1H3,(H2,14,17)(H,15,16)
InChIKeyFUGKDPGODHFGRX-UHFFFAOYSA-N
XLogP2.95
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.42
LogP ≤ 52.95
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

4-[(5-ethylthiophen-2-yl)methylamino]pyridine-2-carboxamide
CID 104880016
methyl 4-[(5-ethylthiophen-2-yl)methylamino]pyridine-2-carboxylate
CID 103702630
2-bromo-4-[(5-ethylthiophen-2-yl)methylamino]benzenecarbothioamide
CID 106010373
N-[(5-ethylthiophen-2-yl)methyl]pyridin-4-amine
CID 103095282
4-(2,2-difluoroethylamino)pyridine-2-carbothioamide
CID 115407232
4-(pyrimidin-4-ylmethylamino)pyridine-2-carbothioamide
CID 114111088
4-(methylamino)pyridine-2-carbothioamide
CID 62926395
ethyl 2-[(2-carbamothioyl-4-pyridinyl)amino]acetate
CID 62925037
2-chloro-4-[(5-ethylthiophen-2-yl)methylamino]benzamide
CID 62346089
ethyl 3-[(2-carbamothioyl-4-pyridinyl)amino]propanoate
CID 62926106
4-(quinolin-8-ylmethylamino)pyridine-2-carbothioamide
CID 81426601
4-(5-methoxypentylamino)pyridine-2-carbothioamide
CID 114130390

Frequently Asked Questions

What is the IUPAC name of 4-[(5-ethylthiophen-2-yl)methylamino]pyridine-2-carbothioamide?
The IUPAC name of 4-[(5-ethylthiophen-2-yl)methylamino]pyridine-2-carbothioamide (CID 106010377) is 4-[(5-ethylthiophen-2-yl)methylamino]pyridine-2-carbothioamide.
What is the SMILES notation for 4-[(5-ethylthiophen-2-yl)methylamino]pyridine-2-carbothioamide?
The canonical SMILES for 4-[(5-ethylthiophen-2-yl)methylamino]pyridine-2-carbothioamide is CCc1ccc(CNc2ccnc(C(N)=S)c2)s1.
What is the InChIKey of 4-[(5-ethylthiophen-2-yl)methylamino]pyridine-2-carbothioamide?
The InChIKey is FUGKDPGODHFGRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3S2/c1-2-10-3-4-11(18-10)8-16-9-5-6-15-12(7-9)13(14)17/h3-7H,2,8H2,1H3,(H2,14,17)(H,15,16).
What are the key properties of 4-[(5-ethylthiophen-2-yl)methylamino]pyridine-2-carbothioamide?
4-[(5-ethylthiophen-2-yl)methylamino]pyridine-2-carbothioamide has a molecular weight of 277.42 g/mol, XLogP of 2.95, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-ethylthiophen-2-yl)methylamino]pyridine-2-carbothioamide is sourced from PubChem (CID 106010377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).