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

C12H20N4S — CID 62926454

IUPAC4-[2-[methyl(propan-2-yl)amino]ethylamino]pyridine-2-carbothioamide
SMILESCC(C)N(C)CCNc1ccnc(C(N)=S)c1
InChIInChI=1S/C12H20N4S/c1-9(2)16(3)7-6-14-10-4-5-15-11(8-10)12(13)17/h4-5,8-9H,6-7H2,1-3H3,(H2,13,17)(H,14,15)
InChIKeyWMAYMDCHSNQJBK-UHFFFAOYSA-N
MW252.39 g/mol
LogP1.47
Rot. Bonds6

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

4-[2-[methyl(propan-2-yl)amino]ethylamino]pyridine-2-carbothioamide (PubChem CID 62926454) has the molecular formula C12H20N4S and a molecular weight of 252.39 g/mol. Its IUPAC name is 4-[2-[methyl(propan-2-yl)amino]ethylamino]pyridine-2-carbothioamide.

Molecular Properties

Compound Name4-[2-[methyl(propan-2-yl)amino]ethylamino]pyridine-2-carbothioamide
PubChem CID62926454
Molecular FormulaC12H20N4S
Molecular Weight252.39 g/mol
Exact Mass252.14
IUPAC Name4-[2-[methyl(propan-2-yl)amino]ethylamino]pyridine-2-carbothioamide
SMILESCC(C)N(C)CCNc1ccnc(C(N)=S)c1
InChIInChI=1S/C12H20N4S/c1-9(2)16(3)7-6-14-10-4-5-15-11(8-10)12(13)17/h4-5,8-9H,6-7H2,1-3H3,(H2,13,17)(H,14,15)
InChIKeyWMAYMDCHSNQJBK-UHFFFAOYSA-N
XLogP1.47
TPSA54.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.39
LogP ≤ 51.47
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

N,N-dimethyl-4-[2-[methyl(propan-2-yl)amino]ethylamino]pyridine-2-carboxamide
CID 62642740
4-(4-propan-2-yloxybutylamino)pyridine-2-carbothioamide
CID 114136901
4-(2,2-difluoroethylamino)pyridine-2-carbothioamide
CID 115407232
3-[(2-carbamothioyl-4-pyridinyl)amino]-N-propan-2-ylpropanamide
CID 113410632
4-(5-methoxypentylamino)pyridine-2-carbothioamide
CID 114130390
4-[[methyl(propan-2-yl)amino]methyl]pyridine-2-carbothioamide
CID 63881095
4-[[1-(dimethylamino)-4-methylpentan-2-yl]amino]pyridine-2-carbothioamide
CID 62926794
ethyl 3-[(2-carbamothioyl-4-pyridinyl)amino]propanoate
CID 62926106
4-[1-(diethylamino)propan-2-ylamino]pyridine-2-carbothioamide
CID 62926107
4-(3-methylbutan-2-ylamino)pyridine-2-carbothioamide
CID 62926594
3-[2-[methyl(propan-2-yl)amino]ethylamino]pyridine-4-carbothioamide
CID 114288483
4-[[1-(dimethylamino)-3-methylbutan-2-yl]amino]pyridine-2-carbothioamide
CID 62927132

Frequently Asked Questions

What is the IUPAC name of 4-[2-[methyl(propan-2-yl)amino]ethylamino]pyridine-2-carbothioamide?
The IUPAC name of 4-[2-[methyl(propan-2-yl)amino]ethylamino]pyridine-2-carbothioamide (CID 62926454) is 4-[2-[methyl(propan-2-yl)amino]ethylamino]pyridine-2-carbothioamide.
What is the SMILES notation for 4-[2-[methyl(propan-2-yl)amino]ethylamino]pyridine-2-carbothioamide?
The canonical SMILES for 4-[2-[methyl(propan-2-yl)amino]ethylamino]pyridine-2-carbothioamide is CC(C)N(C)CCNc1ccnc(C(N)=S)c1.
What is the InChIKey of 4-[2-[methyl(propan-2-yl)amino]ethylamino]pyridine-2-carbothioamide?
The InChIKey is WMAYMDCHSNQJBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4S/c1-9(2)16(3)7-6-14-10-4-5-15-11(8-10)12(13)17/h4-5,8-9H,6-7H2,1-3H3,(H2,13,17)(H,14,15).
What are the key properties of 4-[2-[methyl(propan-2-yl)amino]ethylamino]pyridine-2-carbothioamide?
4-[2-[methyl(propan-2-yl)amino]ethylamino]pyridine-2-carbothioamide has a molecular weight of 252.39 g/mol, XLogP of 1.47, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[methyl(propan-2-yl)amino]ethylamino]pyridine-2-carbothioamide is sourced from PubChem (CID 62926454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).