2-[1-(dimethylamino)propan-2-ylamino]pyridine-4-carbothioamide

C11H18N4S — CID 82939380

IUPAC2-[1-(dimethylamino)propan-2-ylamino]pyridine-4-carbothioamide
SMILESCC(CN(C)C)Nc1cc(C(N)=S)ccn1
InChIInChI=1S/C11H18N4S/c1-8(7-15(2)3)14-10-6-9(11(12)16)4-5-13-10/h4-6,8H,7H2,1-3H3,(H2,12,16)(H,13,14)
InChIKeyDHCBIWGVVIAOQZ-UHFFFAOYSA-N
MW238.36 g/mol
LogP1.08
Rot. Bonds5

About 2-[1-(dimethylamino)propan-2-ylamino]pyridine-4-carbothioamide

2-[1-(dimethylamino)propan-2-ylamino]pyridine-4-carbothioamide (PubChem CID 82939380) has the molecular formula C11H18N4S and a molecular weight of 238.36 g/mol. Its IUPAC name is 2-[1-(dimethylamino)propan-2-ylamino]pyridine-4-carbothioamide.

Molecular Properties

Compound Name2-[1-(dimethylamino)propan-2-ylamino]pyridine-4-carbothioamide
PubChem CID82939380
Molecular FormulaC11H18N4S
Molecular Weight238.36 g/mol
Exact Mass238.13
IUPAC Name2-[1-(dimethylamino)propan-2-ylamino]pyridine-4-carbothioamide
SMILESCC(CN(C)C)Nc1cc(C(N)=S)ccn1
InChIInChI=1S/C11H18N4S/c1-8(7-15(2)3)14-10-6-9(11(12)16)4-5-13-10/h4-6,8H,7H2,1-3H3,(H2,12,16)(H,13,14)
InChIKeyDHCBIWGVVIAOQZ-UHFFFAOYSA-N
XLogP1.08
TPSA54.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.36
LogP ≤ 51.08
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-[(4-carbamothioyl-2-pyridinyl)amino]-N-methylpropanamide
CID 61467404
2-(butan-2-ylamino)pyridine-4-carboxamide
CID 131204108
2-(2-methoxypropylamino)pyridine-4-carbothioamide
CID 102698285
2-[2-(diethylamino)ethylamino]pyridine-4-carbothioamide
CID 24711843
2-[2-[cyclopropyl(methyl)amino]ethylamino]pyridine-4-carbothioamide
CID 62979400
2-[4-(dimethylamino)anilino]pyridine-4-carbothioamide
CID 43617135
2-(1-thiophen-2-ylpropylamino)pyridine-4-carbothioamide
CID 54964485
2-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]pyridine-4-carbothioamide
CID 55009052
4-[[1-(dimethylamino)-4-methylpentan-2-yl]amino]pyridine-2-carbothioamide
CID 62926794
2-[2-(dimethylamino)ethyl-methylamino]pyridine-4-carbothioamide
CID 63695419
4-carbamothioyl-N-[1-(dimethylamino)propan-2-yl]benzamide
CID 82939675
4-[[1-(dimethylamino)-3-methylbutan-2-yl]amino]pyridine-2-carbothioamide
CID 62927132

Frequently Asked Questions

What is the IUPAC name of 2-[1-(dimethylamino)propan-2-ylamino]pyridine-4-carbothioamide?
The IUPAC name of 2-[1-(dimethylamino)propan-2-ylamino]pyridine-4-carbothioamide (CID 82939380) is 2-[1-(dimethylamino)propan-2-ylamino]pyridine-4-carbothioamide.
What is the SMILES notation for 2-[1-(dimethylamino)propan-2-ylamino]pyridine-4-carbothioamide?
The canonical SMILES for 2-[1-(dimethylamino)propan-2-ylamino]pyridine-4-carbothioamide is CC(CN(C)C)Nc1cc(C(N)=S)ccn1.
What is the InChIKey of 2-[1-(dimethylamino)propan-2-ylamino]pyridine-4-carbothioamide?
The InChIKey is DHCBIWGVVIAOQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4S/c1-8(7-15(2)3)14-10-6-9(11(12)16)4-5-13-10/h4-6,8H,7H2,1-3H3,(H2,12,16)(H,13,14).
What are the key properties of 2-[1-(dimethylamino)propan-2-ylamino]pyridine-4-carbothioamide?
2-[1-(dimethylamino)propan-2-ylamino]pyridine-4-carbothioamide has a molecular weight of 238.36 g/mol, XLogP of 1.08, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(dimethylamino)propan-2-ylamino]pyridine-4-carbothioamide is sourced from PubChem (CID 82939380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).