2-[2-[cyclopropyl(methyl)amino]ethylamino]pyridine-4-carbothioamide

C12H18N4S — CID 62979400

IUPAC2-[2-[cyclopropyl(methyl)amino]ethylamino]pyridine-4-carbothioamide
SMILESCN(CCNc1cc(C(N)=S)ccn1)C1CC1
InChIInChI=1S/C12H18N4S/c1-16(10-2-3-10)7-6-15-11-8-9(12(13)17)4-5-14-11/h4-5,8,10H,2-3,6-7H2,1H3,(H2,13,17)(H,14,15)
InChIKeyAKGDLQMSDNNYDO-UHFFFAOYSA-N
MW250.37 g/mol
LogP1.22
Rot. Bonds6

About 2-[2-[cyclopropyl(methyl)amino]ethylamino]pyridine-4-carbothioamide

2-[2-[cyclopropyl(methyl)amino]ethylamino]pyridine-4-carbothioamide (PubChem CID 62979400) has the molecular formula C12H18N4S and a molecular weight of 250.37 g/mol. Its IUPAC name is 2-[2-[cyclopropyl(methyl)amino]ethylamino]pyridine-4-carbothioamide.

Molecular Properties

Compound Name2-[2-[cyclopropyl(methyl)amino]ethylamino]pyridine-4-carbothioamide
PubChem CID62979400
Molecular FormulaC12H18N4S
Molecular Weight250.37 g/mol
Exact Mass250.13
IUPAC Name2-[2-[cyclopropyl(methyl)amino]ethylamino]pyridine-4-carbothioamide
SMILESCN(CCNc1cc(C(N)=S)ccn1)C1CC1
InChIInChI=1S/C12H18N4S/c1-16(10-2-3-10)7-6-15-11-8-9(12(13)17)4-5-14-11/h4-5,8,10H,2-3,6-7H2,1H3,(H2,13,17)(H,14,15)
InChIKeyAKGDLQMSDNNYDO-UHFFFAOYSA-N
XLogP1.22
TPSA54.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.37
LogP ≤ 51.22
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

2-[2-(diethylamino)ethylamino]pyridine-4-carbothioamide
CID 24711843
N-[2-[cyclopropyl(methyl)amino]ethyl]-2-(propylamino)pyridine-4-carboxamide
CID 62979979
4-[2-[cyclopropyl(methyl)amino]ethylamino]-3-fluorobenzenecarbothioamide
CID 62979755
6-[2-[cyclopropyl(methyl)amino]ethylamino]pyridine-2-carbothioamide
CID 64594113
N'-cyclopropyl-N'-methyl-N-(4-nitro-2-pyridinyl)ethane-1,2-diamine
CID 62979922
2-[2-(oxolan-3-yl)ethylamino]pyridine-4-carbothioamide
CID 114130396
4-N-[2-[cyclopropyl(methyl)amino]ethyl]pyrimidine-2,4-diamine
CID 80823019
N'-cyclopropyl-N'-methyl-N-pyrazin-2-ylethane-1,2-diamine
CID 62980641
2-(oxan-4-ylmethylamino)pyridine-4-carbothioamide
CID 63707205
2-[1-(dimethylamino)propan-2-ylamino]pyridine-4-carbothioamide
CID 82939380
2-(2-pyridin-2-ylethylamino)pyridine-4-carbothioamide
CID 24696486
2-[2-[cyclopropyl(methyl)amino]ethylamino]-6-methylpyrimidine-4-carbothioamide
CID 107547375

Frequently Asked Questions

What is the IUPAC name of 2-[2-[cyclopropyl(methyl)amino]ethylamino]pyridine-4-carbothioamide?
The IUPAC name of 2-[2-[cyclopropyl(methyl)amino]ethylamino]pyridine-4-carbothioamide (CID 62979400) is 2-[2-[cyclopropyl(methyl)amino]ethylamino]pyridine-4-carbothioamide.
What is the SMILES notation for 2-[2-[cyclopropyl(methyl)amino]ethylamino]pyridine-4-carbothioamide?
The canonical SMILES for 2-[2-[cyclopropyl(methyl)amino]ethylamino]pyridine-4-carbothioamide is CN(CCNc1cc(C(N)=S)ccn1)C1CC1.
What is the InChIKey of 2-[2-[cyclopropyl(methyl)amino]ethylamino]pyridine-4-carbothioamide?
The InChIKey is AKGDLQMSDNNYDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4S/c1-16(10-2-3-10)7-6-15-11-8-9(12(13)17)4-5-14-11/h4-5,8,10H,2-3,6-7H2,1H3,(H2,13,17)(H,14,15).
What are the key properties of 2-[2-[cyclopropyl(methyl)amino]ethylamino]pyridine-4-carbothioamide?
2-[2-[cyclopropyl(methyl)amino]ethylamino]pyridine-4-carbothioamide has a molecular weight of 250.37 g/mol, XLogP of 1.22, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[cyclopropyl(methyl)amino]ethylamino]pyridine-4-carbothioamide is sourced from PubChem (CID 62979400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).