2-[cyclopropyl(thiophen-2-ylmethyl)amino]pyridine-3-carbothioamide

C14H15N3S2 — CID 61449471

IUPAC2-[cyclopropyl(thiophen-2-ylmethyl)amino]pyridine-3-carbothioamide
SMILESNC(=S)c1cccnc1N(Cc1cccs1)C1CC1
InChIInChI=1S/C14H15N3S2/c15-13(18)12-4-1-7-16-14(12)17(10-5-6-10)9-11-3-2-8-19-11/h1-4,7-8,10H,5-6,9H2,(H2,15,18)
InChIKeyAJCDCVKGSRILKT-UHFFFAOYSA-N
MW289.43 g/mol
LogP2.95
Rot. Bonds5

About 2-[cyclopropyl(thiophen-2-ylmethyl)amino]pyridine-3-carbothioamide

2-[cyclopropyl(thiophen-2-ylmethyl)amino]pyridine-3-carbothioamide (PubChem CID 61449471) has the molecular formula C14H15N3S2 and a molecular weight of 289.43 g/mol. Its IUPAC name is 2-[cyclopropyl(thiophen-2-ylmethyl)amino]pyridine-3-carbothioamide.

Molecular Properties

Compound Name2-[cyclopropyl(thiophen-2-ylmethyl)amino]pyridine-3-carbothioamide
PubChem CID61449471
Molecular FormulaC14H15N3S2
Molecular Weight289.43 g/mol
Exact Mass289.07
IUPAC Name2-[cyclopropyl(thiophen-2-ylmethyl)amino]pyridine-3-carbothioamide
SMILESNC(=S)c1cccnc1N(Cc1cccs1)C1CC1
InChIInChI=1S/C14H15N3S2/c15-13(18)12-4-1-7-16-14(12)17(10-5-6-10)9-11-3-2-8-19-11/h1-4,7-8,10H,5-6,9H2,(H2,15,18)
InChIKeyAJCDCVKGSRILKT-UHFFFAOYSA-N
XLogP2.95
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.43
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[propan-2-yl(thiophen-2-ylmethyl)amino]pyridine-3-carbothioamide
CID 61452711
4-[cyclopropyl(thiophen-2-ylmethyl)amino]-3,5-difluorobenzenecarbothioamide
CID 81286907
4-[cyclopropyl(thiophen-2-ylmethyl)amino]pyrimidine-5-carboxylic acid
CID 114214176
2-bromo-6-[cyclopropyl(thiophen-2-ylmethyl)amino]benzenecarbothioamide
CID 114882097
4-N-cyclopropyl-4-N-(thiophen-2-ylmethyl)pyrimidine-2,4-diamine
CID 80808750
4-N-cyclopropyl-5-methyl-4-N-(thiophen-2-ylmethyl)pyrimidine-4,6-diamine
CID 80809461
N-cyclopropyl-5-iodo-N-(thiophen-2-ylmethyl)pyrimidin-4-amine
CID 66318811
8-N-cyclopropyl-8-N-(thiophen-2-ylmethyl)imidazo[1,2-a]pyrazine-6,8-diamine
CID 80778465
3-bromo-5-chloro-N-cyclopropyl-N-(thiophen-2-ylmethyl)pyridin-2-amine
CID 114836834
3-[propan-2-yl(thiophen-2-ylmethyl)amino]pyrazine-2-carbothioamide
CID 62684451
2-[cyclopropyl(thiophen-2-ylmethyl)amino]pyrimidine-5-carboxylic acid
CID 113387731
5-N-cyclopropyl-5-N-(thiophen-2-ylmethyl)-1,2,4-thiadiazole-3,5-diamine
CID 66280123

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropyl(thiophen-2-ylmethyl)amino]pyridine-3-carbothioamide?
The IUPAC name of 2-[cyclopropyl(thiophen-2-ylmethyl)amino]pyridine-3-carbothioamide (CID 61449471) is 2-[cyclopropyl(thiophen-2-ylmethyl)amino]pyridine-3-carbothioamide.
What is the SMILES notation for 2-[cyclopropyl(thiophen-2-ylmethyl)amino]pyridine-3-carbothioamide?
The canonical SMILES for 2-[cyclopropyl(thiophen-2-ylmethyl)amino]pyridine-3-carbothioamide is NC(=S)c1cccnc1N(Cc1cccs1)C1CC1.
What is the InChIKey of 2-[cyclopropyl(thiophen-2-ylmethyl)amino]pyridine-3-carbothioamide?
The InChIKey is AJCDCVKGSRILKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3S2/c15-13(18)12-4-1-7-16-14(12)17(10-5-6-10)9-11-3-2-8-19-11/h1-4,7-8,10H,5-6,9H2,(H2,15,18).
What are the key properties of 2-[cyclopropyl(thiophen-2-ylmethyl)amino]pyridine-3-carbothioamide?
2-[cyclopropyl(thiophen-2-ylmethyl)amino]pyridine-3-carbothioamide has a molecular weight of 289.43 g/mol, XLogP of 2.95, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropyl(thiophen-2-ylmethyl)amino]pyridine-3-carbothioamide is sourced from PubChem (CID 61449471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).