6-[2-[cyclopropyl(methyl)amino]ethylamino]pyridine-2-carbothioamide

C12H18N4S — CID 64594113

IUPAC6-[2-[cyclopropyl(methyl)amino]ethylamino]pyridine-2-carbothioamide
SMILESCN(CCNc1cccc(C(N)=S)n1)C1CC1
InChIInChI=1S/C12H18N4S/c1-16(9-5-6-9)8-7-14-11-4-2-3-10(15-11)12(13)17/h2-4,9H,5-8H2,1H3,(H2,13,17)(H,14,15)
InChIKeyVNTPYOUQAADJCU-UHFFFAOYSA-N
MW250.37 g/mol
LogP1.22
Rot. Bonds6

About 6-[2-[cyclopropyl(methyl)amino]ethylamino]pyridine-2-carbothioamide

6-[2-[cyclopropyl(methyl)amino]ethylamino]pyridine-2-carbothioamide (PubChem CID 64594113) has the molecular formula C12H18N4S and a molecular weight of 250.37 g/mol. Its IUPAC name is 6-[2-[cyclopropyl(methyl)amino]ethylamino]pyridine-2-carbothioamide.

Molecular Properties

Compound Name6-[2-[cyclopropyl(methyl)amino]ethylamino]pyridine-2-carbothioamide
PubChem CID64594113
Molecular FormulaC12H18N4S
Molecular Weight250.37 g/mol
Exact Mass250.13
IUPAC Name6-[2-[cyclopropyl(methyl)amino]ethylamino]pyridine-2-carbothioamide
SMILESCN(CCNc1cccc(C(N)=S)n1)C1CC1
InChIInChI=1S/C12H18N4S/c1-16(9-5-6-9)8-7-14-11-4-2-3-10(15-11)12(13)17/h2-4,9H,5-8H2,1H3,(H2,13,17)(H,14,15)
InChIKeyVNTPYOUQAADJCU-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

6-(2-cyclopentylethylamino)pyridine-2-carbothioamide
CID 64588853
6-[3-(diethylamino)propylamino]pyridine-2-carbothioamide
CID 64588815
2-[2-[cyclopropyl(methyl)amino]ethylamino]-6-methylpyrimidine-4-carbothioamide
CID 107547375
3-[2-[(6-carbamothioyl-2-pyridinyl)amino]ethyl]-1,1-dimethylurea
CID 83121797
6-(ethylamino)pyridine-2-carbothioamide
CID 64587628
2-[2-[cyclopropyl(methyl)amino]ethylamino]pyridine-4-carbothioamide
CID 62979400
N'-cyclopropyl-N-(6-ethoxy-2-pyridinyl)-N'-methylethane-1,2-diamine
CID 63591133
6-(2-propan-2-yloxyethylamino)pyridine-2-carbothioamide
CID 104761801
N-(6-chloro-2-pyridinyl)-N'-cyclopentyl-N'-methylethane-1,2-diamine
CID 63587094
6-[[3-(dimethylamino)-2,2-dimethylpropyl]amino]pyridine-2-carbothioamide
CID 64588030
2-[(6-carbamothioyl-2-pyridinyl)amino]ethyl carbamate
CID 83205321
4-N-[2-[cyclopropyl(methyl)amino]ethyl]pyrimidine-2,4-diamine
CID 80823019

Frequently Asked Questions

What is the IUPAC name of 6-[2-[cyclopropyl(methyl)amino]ethylamino]pyridine-2-carbothioamide?
The IUPAC name of 6-[2-[cyclopropyl(methyl)amino]ethylamino]pyridine-2-carbothioamide (CID 64594113) is 6-[2-[cyclopropyl(methyl)amino]ethylamino]pyridine-2-carbothioamide.
What is the SMILES notation for 6-[2-[cyclopropyl(methyl)amino]ethylamino]pyridine-2-carbothioamide?
The canonical SMILES for 6-[2-[cyclopropyl(methyl)amino]ethylamino]pyridine-2-carbothioamide is CN(CCNc1cccc(C(N)=S)n1)C1CC1.
What is the InChIKey of 6-[2-[cyclopropyl(methyl)amino]ethylamino]pyridine-2-carbothioamide?
The InChIKey is VNTPYOUQAADJCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4S/c1-16(9-5-6-9)8-7-14-11-4-2-3-10(15-11)12(13)17/h2-4,9H,5-8H2,1H3,(H2,13,17)(H,14,15).
What are the key properties of 6-[2-[cyclopropyl(methyl)amino]ethylamino]pyridine-2-carbothioamide?
6-[2-[cyclopropyl(methyl)amino]ethylamino]pyridine-2-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 6-[2-[cyclopropyl(methyl)amino]ethylamino]pyridine-2-carbothioamide is sourced from PubChem (CID 64594113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).