N-(3,5-dichloro-2-pyridinyl)thiophene-2-carbothioamide

C10H6Cl2N2S2 — CID 14003965

IUPACN-(3,5-dichloro-2-pyridinyl)thiophene-2-carbothioamide
SMILESS=C(Nc1ncc(Cl)cc1Cl)c1cccs1
InChIInChI=1S/C10H6Cl2N2S2/c11-6-4-7(12)9(13-5-6)14-10(15)8-2-1-3-16-8/h1-5H,(H,13,14,15)
InChIKeyYLKDTLCASRXTHE-UHFFFAOYSA-N
MW289.21 g/mol
LogP4.24
Rot. Bonds2

About N-(3,5-dichloro-2-pyridinyl)thiophene-2-carbothioamide

N-(3,5-dichloro-2-pyridinyl)thiophene-2-carbothioamide (PubChem CID 14003965) has the molecular formula C10H6Cl2N2S2 and a molecular weight of 289.21 g/mol. Its IUPAC name is N-(3,5-dichloro-2-pyridinyl)thiophene-2-carbothioamide.

Molecular Properties

Compound NameN-(3,5-dichloro-2-pyridinyl)thiophene-2-carbothioamide
PubChem CID14003965
Molecular FormulaC10H6Cl2N2S2
Molecular Weight289.21 g/mol
Exact Mass287.93
IUPAC NameN-(3,5-dichloro-2-pyridinyl)thiophene-2-carbothioamide
SMILESS=C(Nc1ncc(Cl)cc1Cl)c1cccs1
InChIInChI=1S/C10H6Cl2N2S2/c11-6-4-7(12)9(13-5-6)14-10(15)8-2-1-3-16-8/h1-5H,(H,13,14,15)
InChIKeyYLKDTLCASRXTHE-UHFFFAOYSA-N
XLogP4.24
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.21
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[2-[(3,5-dichloro-2-pyridinyl)amino]-2-oxoethyl] 3-phenyl-2-(thiophene-2-carbonylamino)propanoate
CID 4584496
[(2R)-1-[(3,5-dichloro-2-pyridinyl)amino]-1-oxopropan-2-yl] 3-(thiophene-2-carbonylamino)benzoate
CID 40985004
3,5-dichloro-N-(thiophen-2-ylmethyl)pyridin-2-amine
CID 43242469
1-(3,5-dichloro-2-pyridinyl)-3-phenylurea
CID 27161092
S-methyl N-(3,5-dichloro-2-pyridinyl)carbamothioate
CID 87838372
2-chloro-N-(3,5-dichloro-2-pyridinyl)propanamide
CID 4583439
3,5-dichloro-N-methylpyridin-2-amine;hydrochloride
CID 159350440
(3,5-dichloro-2-pyridinyl)hydrazine;hydrate
CID 175331134
N-[4-[(2,4-dichlorobenzoyl)carbamothioylamino]phenyl]thiophene-2-carboxamide
CID 1342504
3,5-dichloro-N-[(3-methylthiophen-2-yl)methyl]pyridin-2-amine
CID 112726147
N-(4-chloro-2-pyridinyl)-4-oxo-4-thiophen-2-ylbutanamide
CID 108796358
N-[2-(3-chlorophenyl)pyrimidin-5-yl]thiophene-2-carboxamide
CID 87050770

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dichloro-2-pyridinyl)thiophene-2-carbothioamide?
The IUPAC name of N-(3,5-dichloro-2-pyridinyl)thiophene-2-carbothioamide (CID 14003965) is N-(3,5-dichloro-2-pyridinyl)thiophene-2-carbothioamide.
What is the SMILES notation for N-(3,5-dichloro-2-pyridinyl)thiophene-2-carbothioamide?
The canonical SMILES for N-(3,5-dichloro-2-pyridinyl)thiophene-2-carbothioamide is S=C(Nc1ncc(Cl)cc1Cl)c1cccs1.
What is the InChIKey of N-(3,5-dichloro-2-pyridinyl)thiophene-2-carbothioamide?
The InChIKey is YLKDTLCASRXTHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6Cl2N2S2/c11-6-4-7(12)9(13-5-6)14-10(15)8-2-1-3-16-8/h1-5H,(H,13,14,15).
What are the key properties of N-(3,5-dichloro-2-pyridinyl)thiophene-2-carbothioamide?
N-(3,5-dichloro-2-pyridinyl)thiophene-2-carbothioamide has a molecular weight of 289.21 g/mol, XLogP of 4.24, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dichloro-2-pyridinyl)thiophene-2-carbothioamide is sourced from PubChem (CID 14003965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).