N-[[4-(4-phenyl-1,3-thiazol-2-yl)oxan-4-yl]methyl]-4-(1,3,4-thiadiazol-2-ylamino)benzamide

C24H23N5O2S2 — CID 127033536

IUPACN-[[4-(4-phenyl-1,3-thiazol-2-yl)oxan-4-yl]methyl]-4-(1,3,4-thiadiazol-2-ylamino)benzamide
SMILESO=C(NCC1(c2nc(-c3ccccc3)cs2)CCOCC1)c1ccc(Nc2nncs2)cc1
InChIInChI=1S/C24H23N5O2S2/c30-21(18-6-8-19(9-7-18)27-23-29-26-16-33-23)25-15-24(10-12-31-13-11-24)22-28-20(14-32-22)17-4-2-1-3-5-17/h1-9,14,16H,10-13,15H2,(H,25,30)(H,27,29)
InChIKeyRTVBOLBOASJMTD-UHFFFAOYSA-N
MW477.62 g/mol
LogP4.88
Rot. Bonds7

About N-[[4-(4-phenyl-1,3-thiazol-2-yl)oxan-4-yl]methyl]-4-(1,3,4-thiadiazol-2-ylamino)benzamide

N-[[4-(4-phenyl-1,3-thiazol-2-yl)oxan-4-yl]methyl]-4-(1,3,4-thiadiazol-2-ylamino)benzamide (PubChem CID 127033536) has the molecular formula C24H23N5O2S2 and a molecular weight of 477.62 g/mol. Its IUPAC name is N-[[4-(4-phenyl-1,3-thiazol-2-yl)oxan-4-yl]methyl]-4-(1,3,4-thiadiazol-2-ylamino)benzamide.

Molecular Properties

Compound NameN-[[4-(4-phenyl-1,3-thiazol-2-yl)oxan-4-yl]methyl]-4-(1,3,4-thiadiazol-2-ylamino)benzamide
PubChem CID127033536
Molecular FormulaC24H23N5O2S2
Molecular Weight477.62 g/mol
Exact Mass477.13
IUPAC NameN-[[4-(4-phenyl-1,3-thiazol-2-yl)oxan-4-yl]methyl]-4-(1,3,4-thiadiazol-2-ylamino)benzamide
SMILESO=C(NCC1(c2nc(-c3ccccc3)cs2)CCOCC1)c1ccc(Nc2nncs2)cc1
InChIInChI=1S/C24H23N5O2S2/c30-21(18-6-8-19(9-7-18)27-23-29-26-16-33-23)25-15-24(10-12-31-13-11-24)22-28-20(14-32-22)17-4-2-1-3-5-17/h1-9,14,16H,10-13,15H2,(H,25,30)(H,27,29)
InChIKeyRTVBOLBOASJMTD-UHFFFAOYSA-N
XLogP4.88
TPSA89.03 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.62
LogP ≤ 54.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

4-[(5-methylthiazol-2-yl)amino]-N-[[4-(4-phenylthiazol-2-yl)tetrahydropyran-4-yl]methyl]benzamide
CID 127033254
4-imidazol-1-yl-N-[[4-(4-phenylthiazol-2-yl)tetrahydropyran-4-yl]methyl]benzamide
CID 127032916
4-[(1-methylpyrazol-3-yl)amino]-N-[[4-(4-phenylthiazol-2-yl)tetrahydropyran-4-yl]methyl]benzamide
CID 127033253
4-(1,3-benzothiazol-2-ylamino)-N-[[4-(4-phenylthiazol-2-yl)tetrahydropyran-4-yl]methyl]benzamide
CID 127033526
4-(3,5-dimethylpyrazol-1-yl)-N-[[4-(4-phenylthiazol-2-yl)tetrahydropyran-4-yl]methyl]benzamide
CID 127032615
N-[[4-(4-phenylthiazol-2-yl)tetrahydropyran-4-yl]methyl]-4-(1,2,4-triazol-1-yl)benzamide
CID 127033251
N-[[4-(4-phenylthiazol-2-yl)tetrahydropyran-4-yl]methyl]-4-(2-pyridylamino)benzamide
CID 127033527
N-[(4-phenyl-1,3-thiazol-5-yl)methyl]-4-(4H-1,2,4-triazol-4-yl)benzamide
CID 50969828
N-[2-(4-phenyl-1,3-thiazol-2-yl)ethyl]-4-(4H-1,2,4-triazol-4-yl)benzamide
CID 50975501
4-amino-N-[2-[[4-[3-[1-(oxan-4-yl)pyrazol-3-yl]phenyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]benzamide
CID 155792335
N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-4-(tetrazol-1-yl)benzamide
CID 4856401
N-[4-[4-(2-acetamidoethyl)phenyl]-1,3-thiazol-2-yl]-4-(tetrazol-1-yl)benzamide
CID 16272761

Frequently Asked Questions

What is the IUPAC name of N-[[4-(4-phenyl-1,3-thiazol-2-yl)oxan-4-yl]methyl]-4-(1,3,4-thiadiazol-2-ylamino)benzamide?
The IUPAC name of N-[[4-(4-phenyl-1,3-thiazol-2-yl)oxan-4-yl]methyl]-4-(1,3,4-thiadiazol-2-ylamino)benzamide (CID 127033536) is N-[[4-(4-phenyl-1,3-thiazol-2-yl)oxan-4-yl]methyl]-4-(1,3,4-thiadiazol-2-ylamino)benzamide.
What is the SMILES notation for N-[[4-(4-phenyl-1,3-thiazol-2-yl)oxan-4-yl]methyl]-4-(1,3,4-thiadiazol-2-ylamino)benzamide?
The canonical SMILES for N-[[4-(4-phenyl-1,3-thiazol-2-yl)oxan-4-yl]methyl]-4-(1,3,4-thiadiazol-2-ylamino)benzamide is O=C(NCC1(c2nc(-c3ccccc3)cs2)CCOCC1)c1ccc(Nc2nncs2)cc1.
What is the InChIKey of N-[[4-(4-phenyl-1,3-thiazol-2-yl)oxan-4-yl]methyl]-4-(1,3,4-thiadiazol-2-ylamino)benzamide?
The InChIKey is RTVBOLBOASJMTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N5O2S2/c30-21(18-6-8-19(9-7-18)27-23-29-26-16-33-23)25-15-24(10-12-31-13-11-24)22-28-20(14-32-22)17-4-2-1-3-5-17/h1-9,14,16H,10-13,15H2,(H,25,30)(H,27,29).
What are the key properties of N-[[4-(4-phenyl-1,3-thiazol-2-yl)oxan-4-yl]methyl]-4-(1,3,4-thiadiazol-2-ylamino)benzamide?
N-[[4-(4-phenyl-1,3-thiazol-2-yl)oxan-4-yl]methyl]-4-(1,3,4-thiadiazol-2-ylamino)benzamide has a molecular weight of 477.62 g/mol, XLogP of 4.88, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(4-phenyl-1,3-thiazol-2-yl)oxan-4-yl]methyl]-4-(1,3,4-thiadiazol-2-ylamino)benzamide is sourced from PubChem (CID 127033536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).