4,6-dimethyl-2-[(1-methylpyrazol-3-yl)methylamino]pyridine-3-carbothioamide

C13H17N5S — CID 82873632

IUPAC4,6-dimethyl-2-[(1-methylpyrazol-3-yl)methylamino]pyridine-3-carbothioamide
SMILESCc1cc(C)c(C(N)=S)c(NCc2ccn(C)n2)n1
InChIInChI=1S/C13H17N5S/c1-8-6-9(2)16-13(11(8)12(14)19)15-7-10-4-5-18(3)17-10/h4-6H,7H2,1-3H3,(H2,14,19)(H,15,16)
InChIKeyZVQDQHLEMRFGFM-UHFFFAOYSA-N
MW275.38 g/mol
LogP1.68
Rot. Bonds4

About 4,6-dimethyl-2-[(1-methylpyrazol-3-yl)methylamino]pyridine-3-carbothioamide

4,6-dimethyl-2-[(1-methylpyrazol-3-yl)methylamino]pyridine-3-carbothioamide (PubChem CID 82873632) has the molecular formula C13H17N5S and a molecular weight of 275.38 g/mol. Its IUPAC name is 4,6-dimethyl-2-[(1-methylpyrazol-3-yl)methylamino]pyridine-3-carbothioamide.

Molecular Properties

Compound Name4,6-dimethyl-2-[(1-methylpyrazol-3-yl)methylamino]pyridine-3-carbothioamide
PubChem CID82873632
Molecular FormulaC13H17N5S
Molecular Weight275.38 g/mol
Exact Mass275.12
IUPAC Name4,6-dimethyl-2-[(1-methylpyrazol-3-yl)methylamino]pyridine-3-carbothioamide
SMILESCc1cc(C)c(C(N)=S)c(NCc2ccn(C)n2)n1
InChIInChI=1S/C13H17N5S/c1-8-6-9(2)16-13(11(8)12(14)19)15-7-10-4-5-18(3)17-10/h4-6H,7H2,1-3H3,(H2,14,19)(H,15,16)
InChIKeyZVQDQHLEMRFGFM-UHFFFAOYSA-N
XLogP1.68
TPSA68.76 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.38
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-[(1-methylpyrazol-3-yl)methylamino]pyrazine-2-carbothioamide
CID 82874016
4,6-dimethyl-2-[(5-methylthiophen-2-yl)methylamino]pyridine-3-carbothioamide
CID 62056556
2-methyl-4-[(1-methylpyrazol-3-yl)methylamino]benzenecarbothioamide
CID 82873759
6-methyl-2-[(1-methylpyrazol-3-yl)methylamino]pyridine-3-carbonitrile
CID 82873619
2-(2-methoxypropylamino)-4,6-dimethylpyridine-3-carbothioamide
CID 102698288
2-[2-(methanesulfonamido)ethylamino]-4,6-dimethylpyridine-3-carbothioamide
CID 61176710
4,6-dimethyl-2-[(3-methylcyclopentyl)methylamino]pyridine-3-carbothioamide
CID 107413442
4-iodo-2-methyl-N-[(1-methylpyrazol-3-yl)methyl]aniline
CID 115909524
3,5,6-trichloro-N-[(1-methylpyrazol-3-yl)methyl]pyridin-2-amine
CID 102751690
2-[1-(dimethylamino)propan-2-ylamino]-4,6-dimethylpyridine-3-carbothioamide
CID 82939682
3-[(3-carbamothioyl-4,6-dimethyl-2-pyridinyl)amino]-3-methylbutanamide
CID 106096792
2-tert-butyl-6-N,5-dimethyl-4-N-[(1-methylpyrazol-3-yl)methyl]pyrimidine-4,6-diamine
CID 82874404

Frequently Asked Questions

What is the IUPAC name of 4,6-dimethyl-2-[(1-methylpyrazol-3-yl)methylamino]pyridine-3-carbothioamide?
The IUPAC name of 4,6-dimethyl-2-[(1-methylpyrazol-3-yl)methylamino]pyridine-3-carbothioamide (CID 82873632) is 4,6-dimethyl-2-[(1-methylpyrazol-3-yl)methylamino]pyridine-3-carbothioamide.
What is the SMILES notation for 4,6-dimethyl-2-[(1-methylpyrazol-3-yl)methylamino]pyridine-3-carbothioamide?
The canonical SMILES for 4,6-dimethyl-2-[(1-methylpyrazol-3-yl)methylamino]pyridine-3-carbothioamide is Cc1cc(C)c(C(N)=S)c(NCc2ccn(C)n2)n1.
What is the InChIKey of 4,6-dimethyl-2-[(1-methylpyrazol-3-yl)methylamino]pyridine-3-carbothioamide?
The InChIKey is ZVQDQHLEMRFGFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5S/c1-8-6-9(2)16-13(11(8)12(14)19)15-7-10-4-5-18(3)17-10/h4-6H,7H2,1-3H3,(H2,14,19)(H,15,16).
What are the key properties of 4,6-dimethyl-2-[(1-methylpyrazol-3-yl)methylamino]pyridine-3-carbothioamide?
4,6-dimethyl-2-[(1-methylpyrazol-3-yl)methylamino]pyridine-3-carbothioamide has a molecular weight of 275.38 g/mol, XLogP of 1.68, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dimethyl-2-[(1-methylpyrazol-3-yl)methylamino]pyridine-3-carbothioamide is sourced from PubChem (CID 82873632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).