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

C13H14N4S2 — CID 114767390

IUPAC2-[(4-cyclopropyl-1,3-thiazol-2-yl)amino]-6-methylpyridine-4-carbothioamide
SMILESCc1cc(C(N)=S)cc(Nc2nc(C3CC3)cs2)n1
InChIInChI=1S/C13H14N4S2/c1-7-4-9(12(14)18)5-11(15-7)17-13-16-10(6-19-13)8-2-3-8/h4-6,8H,2-3H2,1H3,(H2,14,18)(H,15,16,17)
InChIKeyCRQCVEMKWJHVIR-UHFFFAOYSA-N
MW290.42 g/mol
LogP3.10
Rot. Bonds4

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

2-[(4-cyclopropyl-1,3-thiazol-2-yl)amino]-6-methylpyridine-4-carbothioamide (PubChem CID 114767390) has the molecular formula C13H14N4S2 and a molecular weight of 290.42 g/mol. Its IUPAC name is 2-[(4-cyclopropyl-1,3-thiazol-2-yl)amino]-6-methylpyridine-4-carbothioamide.

Molecular Properties

Compound Name2-[(4-cyclopropyl-1,3-thiazol-2-yl)amino]-6-methylpyridine-4-carbothioamide
PubChem CID114767390
Molecular FormulaC13H14N4S2
Molecular Weight290.42 g/mol
Exact Mass290.07
IUPAC Name2-[(4-cyclopropyl-1,3-thiazol-2-yl)amino]-6-methylpyridine-4-carbothioamide
SMILESCc1cc(C(N)=S)cc(Nc2nc(C3CC3)cs2)n1
InChIInChI=1S/C13H14N4S2/c1-7-4-9(12(14)18)5-11(15-7)17-13-16-10(6-19-13)8-2-3-8/h4-6,8H,2-3H2,1H3,(H2,14,18)(H,15,16,17)
InChIKeyCRQCVEMKWJHVIR-UHFFFAOYSA-N
XLogP3.10
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.42
LogP ≤ 53.10
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

4-[(4-cyclopropyl-1,3-thiazol-2-yl)amino]-3,5-difluorobenzenecarbothioamide
CID 81286009
4-[(4-cyclopropyl-1,3-thiazol-2-yl)amino]-2,6-dimethylpyridine-3-carbothioamide
CID 81053925
2-[(4-cyclopropyl-1,3-thiazol-2-yl)amino]-5-methylbenzenecarbothioamide
CID 107928698
2-methyl-6-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylamino)pyridine-4-carbothioamide
CID 114767423
2-(cyclobutylamino)-6-methylpyridine-4-carbothioamide
CID 58503678
2-methyl-6-[(6-methyl-1,3-benzothiazol-2-yl)amino]pyridine-4-carbothioamide
CID 114767063
2-methyl-6-[(1-oxothian-4-yl)amino]pyridine-4-carbothioamide
CID 114767979
2-(1-adamantylamino)-6-methylpyridine-4-carbothioamide
CID 114767043
2-(3,4-dimethylanilino)-6-methylpyridine-4-carbothioamide
CID 114767157
2-methyl-6-[1-(4-methyl-1,3-thiazol-2-yl)ethylamino]pyridine-4-carbothioamide
CID 114767732
2-chloro-N-(4-cyclopropyl-1,3-thiazol-2-yl)-6-methylpyrimidine-4-carboxamide
CID 114219527
2-[(2-methoxycyclopentyl)amino]-6-methylpyridine-4-carbothioamide
CID 114767568

Frequently Asked Questions

What is the IUPAC name of 2-[(4-cyclopropyl-1,3-thiazol-2-yl)amino]-6-methylpyridine-4-carbothioamide?
The IUPAC name of 2-[(4-cyclopropyl-1,3-thiazol-2-yl)amino]-6-methylpyridine-4-carbothioamide (CID 114767390) is 2-[(4-cyclopropyl-1,3-thiazol-2-yl)amino]-6-methylpyridine-4-carbothioamide.
What is the SMILES notation for 2-[(4-cyclopropyl-1,3-thiazol-2-yl)amino]-6-methylpyridine-4-carbothioamide?
The canonical SMILES for 2-[(4-cyclopropyl-1,3-thiazol-2-yl)amino]-6-methylpyridine-4-carbothioamide is Cc1cc(C(N)=S)cc(Nc2nc(C3CC3)cs2)n1.
What is the InChIKey of 2-[(4-cyclopropyl-1,3-thiazol-2-yl)amino]-6-methylpyridine-4-carbothioamide?
The InChIKey is CRQCVEMKWJHVIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4S2/c1-7-4-9(12(14)18)5-11(15-7)17-13-16-10(6-19-13)8-2-3-8/h4-6,8H,2-3H2,1H3,(H2,14,18)(H,15,16,17).
What are the key properties of 2-[(4-cyclopropyl-1,3-thiazol-2-yl)amino]-6-methylpyridine-4-carbothioamide?
2-[(4-cyclopropyl-1,3-thiazol-2-yl)amino]-6-methylpyridine-4-carbothioamide has a molecular weight of 290.42 g/mol, XLogP of 3.10, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-cyclopropyl-1,3-thiazol-2-yl)amino]-6-methylpyridine-4-carbothioamide is sourced from PubChem (CID 114767390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).