4-(4-propan-2-ylanilino)pyridine-2-carbothioamide

C15H17N3S — CID 55157612

IUPAC4-(4-propan-2-ylanilino)pyridine-2-carbothioamide
SMILESCC(C)c1ccc(Nc2ccnc(C(N)=S)c2)cc1
InChIInChI=1S/C15H17N3S/c1-10(2)11-3-5-12(6-4-11)18-13-7-8-17-14(9-13)15(16)19/h3-10H,1-2H3,(H2,16,19)(H,17,18)
InChIKeySWRPTUCZRABFGP-UHFFFAOYSA-N
MW271.39 g/mol
LogP3.58
Rot. Bonds4

About 4-(4-propan-2-ylanilino)pyridine-2-carbothioamide

4-(4-propan-2-ylanilino)pyridine-2-carbothioamide (PubChem CID 55157612) has the molecular formula C15H17N3S and a molecular weight of 271.39 g/mol. Its IUPAC name is 4-(4-propan-2-ylanilino)pyridine-2-carbothioamide.

Molecular Properties

Compound Name4-(4-propan-2-ylanilino)pyridine-2-carbothioamide
PubChem CID55157612
Molecular FormulaC15H17N3S
Molecular Weight271.39 g/mol
Exact Mass271.11
IUPAC Name4-(4-propan-2-ylanilino)pyridine-2-carbothioamide
SMILESCC(C)c1ccc(Nc2ccnc(C(N)=S)c2)cc1
InChIInChI=1S/C15H17N3S/c1-10(2)11-3-5-12(6-4-11)18-13-7-8-17-14(9-13)15(16)19/h3-10H,1-2H3,(H2,16,19)(H,17,18)
InChIKeySWRPTUCZRABFGP-UHFFFAOYSA-N
XLogP3.58
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.39
LogP ≤ 53.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-[4-(difluoromethoxy)anilino]pyridine-2-carbothioamide
CID 62926773
4-(3-methylbutan-2-ylamino)pyridine-2-carbothioamide
CID 62926594
N-phenyl-4-(4-propan-2-ylanilino)pyridine-2-carboxamide
CID 109218754
4-(methylamino)pyridine-2-carbothioamide
CID 62926395
4-(4-fluoroanilino)-N-(4-propan-2-ylphenyl)pyridine-2-carboxamide
CID 109220451
N-butan-2-yl-4-(4-propan-2-ylanilino)pyridine-2-carboxamide
CID 109203336
4-(thiophen-3-ylamino)pyridine-2-carbothioamide
CID 66356058
4-(2,4,5-trichloroanilino)pyridine-2-carbothioamide
CID 63519381
4-(1,3-benzodioxol-5-ylamino)pyridine-2-carbothioamide
CID 55156079
methyl 4-[[2-[(4-propan-2-ylphenyl)carbamoyl]-4-pyridinyl]amino]benzoate
CID 109220466
4-(1-cyclopropylethylamino)pyridine-2-carbothioamide
CID 62925384
1-N,4-N-bis(4-propan-2-ylphenyl)benzene-1,4-diamine
CID 71359938

Frequently Asked Questions

What is the IUPAC name of 4-(4-propan-2-ylanilino)pyridine-2-carbothioamide?
The IUPAC name of 4-(4-propan-2-ylanilino)pyridine-2-carbothioamide (CID 55157612) is 4-(4-propan-2-ylanilino)pyridine-2-carbothioamide.
What is the SMILES notation for 4-(4-propan-2-ylanilino)pyridine-2-carbothioamide?
The canonical SMILES for 4-(4-propan-2-ylanilino)pyridine-2-carbothioamide is CC(C)c1ccc(Nc2ccnc(C(N)=S)c2)cc1.
What is the InChIKey of 4-(4-propan-2-ylanilino)pyridine-2-carbothioamide?
The InChIKey is SWRPTUCZRABFGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3S/c1-10(2)11-3-5-12(6-4-11)18-13-7-8-17-14(9-13)15(16)19/h3-10H,1-2H3,(H2,16,19)(H,17,18).
What are the key properties of 4-(4-propan-2-ylanilino)pyridine-2-carbothioamide?
4-(4-propan-2-ylanilino)pyridine-2-carbothioamide has a molecular weight of 271.39 g/mol, XLogP of 3.58, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-propan-2-ylanilino)pyridine-2-carbothioamide is sourced from PubChem (CID 55157612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).