2-methyl-6-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylamino)pyridine-4-carbothioamide

C14H16N4S2 — CID 114767423

IUPAC2-methyl-6-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylamino)pyridine-4-carbothioamide
SMILESCc1cc(C(N)=S)cc(Nc2nc3c(s2)CCCC3)n1
InChIInChI=1S/C14H16N4S2/c1-8-6-9(13(15)19)7-12(16-8)18-14-17-10-4-2-3-5-11(10)20-14/h6-7H,2-5H2,1H3,(H2,15,19)(H,16,17,18)
InChIKeyXCXLHTDUXJBIDT-UHFFFAOYSA-N
MW304.44 g/mol
LogP3.10
Rot. Bonds3

About 2-methyl-6-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylamino)pyridine-4-carbothioamide

2-methyl-6-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylamino)pyridine-4-carbothioamide (PubChem CID 114767423) has the molecular formula C14H16N4S2 and a molecular weight of 304.44 g/mol. Its IUPAC name is 2-methyl-6-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylamino)pyridine-4-carbothioamide.

Molecular Properties

Compound Name2-methyl-6-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylamino)pyridine-4-carbothioamide
PubChem CID114767423
Molecular FormulaC14H16N4S2
Molecular Weight304.44 g/mol
Exact Mass304.08
IUPAC Name2-methyl-6-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylamino)pyridine-4-carbothioamide
SMILESCc1cc(C(N)=S)cc(Nc2nc3c(s2)CCCC3)n1
InChIInChI=1S/C14H16N4S2/c1-8-6-9(13(15)19)7-12(16-8)18-14-17-10-4-2-3-5-11(10)20-14/h6-7H,2-5H2,1H3,(H2,15,19)(H,16,17,18)
InChIKeyXCXLHTDUXJBIDT-UHFFFAOYSA-N
XLogP3.10
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.44
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

2-[(4-cyclopropyl-1,3-thiazol-2-yl)amino]-6-methylpyridine-4-carbothioamide
CID 114767390
4-chloro-2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylamino)benzenecarbothioamide
CID 63520477
4,6-dimethyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)pyrimidine-2-carboxamide
CID 146080268
4-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylamino)-2-fluorobenzenecarbothioamide
CID 115368096
2-(cyclobutylamino)-6-methylpyridine-4-carbothioamide
CID 58503678
2,6-dimethyl-4-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylamino)pyridine-3-carbonitrile
CID 81060181
2-bromo-6-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylamino)benzenecarbothioamide
CID 114882155
N-(4-methoxyphenyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine
CID 677721
[2-(4,5,6,7,8,9-hexahydrocycloocta[d][1,3]thiazol-2-ylamino)-4-pyridinyl]-(4-methylpiperazin-1-yl)methanone
CID 170504503
2-(2,6-diethylanilino)-6-methylpyridine-4-carbothioamide
CID 114767051
N-(4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[d][1,3]thiazol-2-yl)acetamide
CID 930096
N-(6-methyl-4-phenylsulfanyl-2-pyridinyl)-5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-amine;propylcyclohexane
CID 144988118

Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylamino)pyridine-4-carbothioamide?
The IUPAC name of 2-methyl-6-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylamino)pyridine-4-carbothioamide (CID 114767423) is 2-methyl-6-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylamino)pyridine-4-carbothioamide.
What is the SMILES notation for 2-methyl-6-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylamino)pyridine-4-carbothioamide?
The canonical SMILES for 2-methyl-6-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylamino)pyridine-4-carbothioamide is Cc1cc(C(N)=S)cc(Nc2nc3c(s2)CCCC3)n1.
What is the InChIKey of 2-methyl-6-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylamino)pyridine-4-carbothioamide?
The InChIKey is XCXLHTDUXJBIDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4S2/c1-8-6-9(13(15)19)7-12(16-8)18-14-17-10-4-2-3-5-11(10)20-14/h6-7H,2-5H2,1H3,(H2,15,19)(H,16,17,18).
What are the key properties of 2-methyl-6-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylamino)pyridine-4-carbothioamide?
2-methyl-6-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylamino)pyridine-4-carbothioamide has a molecular weight of 304.44 g/mol, XLogP of 3.10, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylamino)pyridine-4-carbothioamide is sourced from PubChem (CID 114767423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).