4-[6-[2-[(dimethylamino)methyl]-4-methyl-1,3-thiazol-5-yl]-2-pyridinyl]-3,6-difluoro-2-hydrazinylaniline

C18H20F2N6S — CID 162757725

IUPAC4-[6-[2-[(dimethylamino)methyl]-4-methyl-1,3-thiazol-5-yl]-2-pyridinyl]-3,6-difluoro-2-hydrazinylaniline
SMILESCc1nc(CN(C)C)sc1-c1cccc(-c2cc(F)c(N)c(NN)c2F)n1
InChIInChI=1S/C18H20F2N6S/c1-9-18(27-14(23-9)8-26(2)3)13-6-4-5-12(24-13)10-7-11(19)16(21)17(25-22)15(10)20/h4-7,25H,8,21-22H2,1-3H3
InChIKeyCYHOMTMWDWZLFK-UHFFFAOYSA-N
MW390.46 g/mol
LogP3.39
Rot. Bonds5

About 4-[6-[2-[(dimethylamino)methyl]-4-methyl-1,3-thiazol-5-yl]-2-pyridinyl]-3,6-difluoro-2-hydrazinylaniline

4-[6-[2-[(dimethylamino)methyl]-4-methyl-1,3-thiazol-5-yl]-2-pyridinyl]-3,6-difluoro-2-hydrazinylaniline (PubChem CID 162757725) has the molecular formula C18H20F2N6S and a molecular weight of 390.46 g/mol. Its IUPAC name is 4-[6-[2-[(dimethylamino)methyl]-4-methyl-1,3-thiazol-5-yl]-2-pyridinyl]-3,6-difluoro-2-hydrazinylaniline.

Molecular Properties

Compound Name4-[6-[2-[(dimethylamino)methyl]-4-methyl-1,3-thiazol-5-yl]-2-pyridinyl]-3,6-difluoro-2-hydrazinylaniline
PubChem CID162757725
Molecular FormulaC18H20F2N6S
Molecular Weight390.46 g/mol
Exact Mass390.14
IUPAC Name4-[6-[2-[(dimethylamino)methyl]-4-methyl-1,3-thiazol-5-yl]-2-pyridinyl]-3,6-difluoro-2-hydrazinylaniline
SMILESCc1nc(CN(C)C)sc1-c1cccc(-c2cc(F)c(N)c(NN)c2F)n1
InChIInChI=1S/C18H20F2N6S/c1-9-18(27-14(23-9)8-26(2)3)13-6-4-5-12(24-13)10-7-11(19)16(21)17(25-22)15(10)20/h4-7,25H,8,21-22H2,1-3H3
InChIKeyCYHOMTMWDWZLFK-UHFFFAOYSA-N
XLogP3.39
TPSA93.09 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.46
LogP ≤ 53.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[6-[2-[(dimethylamino)methyl]-4-methyl-1,3-thiazol-5-yl]-2-pyridinyl]-3,6-difluoro-2-hydrazinylaniline?
The IUPAC name of 4-[6-[2-[(dimethylamino)methyl]-4-methyl-1,3-thiazol-5-yl]-2-pyridinyl]-3,6-difluoro-2-hydrazinylaniline (CID 162757725) is 4-[6-[2-[(dimethylamino)methyl]-4-methyl-1,3-thiazol-5-yl]-2-pyridinyl]-3,6-difluoro-2-hydrazinylaniline.
What is the SMILES notation for 4-[6-[2-[(dimethylamino)methyl]-4-methyl-1,3-thiazol-5-yl]-2-pyridinyl]-3,6-difluoro-2-hydrazinylaniline?
The canonical SMILES for 4-[6-[2-[(dimethylamino)methyl]-4-methyl-1,3-thiazol-5-yl]-2-pyridinyl]-3,6-difluoro-2-hydrazinylaniline is Cc1nc(CN(C)C)sc1-c1cccc(-c2cc(F)c(N)c(NN)c2F)n1.
What is the InChIKey of 4-[6-[2-[(dimethylamino)methyl]-4-methyl-1,3-thiazol-5-yl]-2-pyridinyl]-3,6-difluoro-2-hydrazinylaniline?
The InChIKey is CYHOMTMWDWZLFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20F2N6S/c1-9-18(27-14(23-9)8-26(2)3)13-6-4-5-12(24-13)10-7-11(19)16(21)17(25-22)15(10)20/h4-7,25H,8,21-22H2,1-3H3.
What are the key properties of 4-[6-[2-[(dimethylamino)methyl]-4-methyl-1,3-thiazol-5-yl]-2-pyridinyl]-3,6-difluoro-2-hydrazinylaniline?
4-[6-[2-[(dimethylamino)methyl]-4-methyl-1,3-thiazol-5-yl]-2-pyridinyl]-3,6-difluoro-2-hydrazinylaniline has a molecular weight of 390.46 g/mol, XLogP of 3.39, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-[2-[(dimethylamino)methyl]-4-methyl-1,3-thiazol-5-yl]-2-pyridinyl]-3,6-difluoro-2-hydrazinylaniline is sourced from PubChem (CID 162757725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).