4-[(4-cyclopropyl-1,3-thiazol-2-yl)amino]-2,6-dimethylpyridine-3-carbothioamide

C14H16N4S2 — CID 81053925

IUPAC4-[(4-cyclopropyl-1,3-thiazol-2-yl)amino]-2,6-dimethylpyridine-3-carbothioamide
SMILESCc1cc(Nc2nc(C3CC3)cs2)c(C(N)=S)c(C)n1
InChIInChI=1S/C14H16N4S2/c1-7-5-10(12(13(15)19)8(2)16-7)17-14-18-11(6-20-14)9-3-4-9/h5-6,9H,3-4H2,1-2H3,(H2,15,19)(H,16,17,18)
InChIKeyRGANKKMAAZFKQR-UHFFFAOYSA-N
MW304.44 g/mol
LogP3.41
Rot. Bonds4

About 4-[(4-cyclopropyl-1,3-thiazol-2-yl)amino]-2,6-dimethylpyridine-3-carbothioamide

4-[(4-cyclopropyl-1,3-thiazol-2-yl)amino]-2,6-dimethylpyridine-3-carbothioamide (PubChem CID 81053925) has the molecular formula C14H16N4S2 and a molecular weight of 304.44 g/mol. Its IUPAC name is 4-[(4-cyclopropyl-1,3-thiazol-2-yl)amino]-2,6-dimethylpyridine-3-carbothioamide.

Molecular Properties

Compound Name4-[(4-cyclopropyl-1,3-thiazol-2-yl)amino]-2,6-dimethylpyridine-3-carbothioamide
PubChem CID81053925
Molecular FormulaC14H16N4S2
Molecular Weight304.44 g/mol
Exact Mass304.08
IUPAC Name4-[(4-cyclopropyl-1,3-thiazol-2-yl)amino]-2,6-dimethylpyridine-3-carbothioamide
SMILESCc1cc(Nc2nc(C3CC3)cs2)c(C(N)=S)c(C)n1
InChIInChI=1S/C14H16N4S2/c1-7-5-10(12(13(15)19)8(2)16-7)17-14-18-11(6-20-14)9-3-4-9/h5-6,9H,3-4H2,1-2H3,(H2,15,19)(H,16,17,18)
InChIKeyRGANKKMAAZFKQR-UHFFFAOYSA-N
XLogP3.41
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.44
LogP ≤ 53.41
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

2-[(4-cyclopropyl-1,3-thiazol-2-yl)amino]-6-methylpyridine-4-carbothioamide
CID 114767390
2-[(4-cyclopropyl-1,3-thiazol-2-yl)amino]-5-methylbenzenecarbothioamide
CID 107928698
4-[(4-cyclopropyl-1,3-thiazol-2-yl)amino]-3,5-difluorobenzenecarbothioamide
CID 81286009
4-(cyclopentylamino)-2,6-dimethylpyridine-3-carbothioamide
CID 81059850
4-(cycloheptylamino)-2,6-dimethylpyridine-3-carbothioamide
CID 81054190
4-anilino-2,6-dimethylpyridine-3-carbothioamide
CID 81060687
2,6-dimethyl-4-(oxolan-2-ylmethylamino)pyridine-3-carbothioamide
CID 81061188
2,6-dimethyl-4-(2,4,5-trifluoroanilino)pyridine-3-carbothioamide
CID 81060226
4-(ethylamino)-2,6-dimethylpyridine-3-carbothioamide
CID 81060050
4-(2-iodoanilino)-2,6-dimethylpyridine-3-carbothioamide
CID 81054817
2,6-dimethyl-4-(2,3,4-trifluoroanilino)pyridine-3-carbothioamide
CID 81060643
2,6-dimethyl-4-(2-propylanilino)pyridine-3-carbothioamide
CID 81060217

Frequently Asked Questions

What is the IUPAC name of 4-[(4-cyclopropyl-1,3-thiazol-2-yl)amino]-2,6-dimethylpyridine-3-carbothioamide?
The IUPAC name of 4-[(4-cyclopropyl-1,3-thiazol-2-yl)amino]-2,6-dimethylpyridine-3-carbothioamide (CID 81053925) is 4-[(4-cyclopropyl-1,3-thiazol-2-yl)amino]-2,6-dimethylpyridine-3-carbothioamide.
What is the SMILES notation for 4-[(4-cyclopropyl-1,3-thiazol-2-yl)amino]-2,6-dimethylpyridine-3-carbothioamide?
The canonical SMILES for 4-[(4-cyclopropyl-1,3-thiazol-2-yl)amino]-2,6-dimethylpyridine-3-carbothioamide is Cc1cc(Nc2nc(C3CC3)cs2)c(C(N)=S)c(C)n1.
What is the InChIKey of 4-[(4-cyclopropyl-1,3-thiazol-2-yl)amino]-2,6-dimethylpyridine-3-carbothioamide?
The InChIKey is RGANKKMAAZFKQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4S2/c1-7-5-10(12(13(15)19)8(2)16-7)17-14-18-11(6-20-14)9-3-4-9/h5-6,9H,3-4H2,1-2H3,(H2,15,19)(H,16,17,18).
What are the key properties of 4-[(4-cyclopropyl-1,3-thiazol-2-yl)amino]-2,6-dimethylpyridine-3-carbothioamide?
4-[(4-cyclopropyl-1,3-thiazol-2-yl)amino]-2,6-dimethylpyridine-3-carbothioamide has a molecular weight of 304.44 g/mol, XLogP of 3.41, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-cyclopropyl-1,3-thiazol-2-yl)amino]-2,6-dimethylpyridine-3-carbothioamide is sourced from PubChem (CID 81053925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).