N-[3-[(2-amino-1,3-benzothiazol-6-yl)amino]-1-(furan-2-yl)-2-hydroxy-3-oxopropyl]-4-(diethylamino)benzamide

C25H27N5O4S — CID 87093432

IUPACN-[3-[(2-amino-1,3-benzothiazol-6-yl)amino]-1-(furan-2-yl)-2-hydroxy-3-oxopropyl]-4-(diethylamino)benzamide
SMILESCCN(CC)c1ccc(C(=O)NC(c2ccco2)C(O)C(=O)Nc2ccc3nc(N)sc3c2)cc1
InChIInChI=1S/C25H27N5O4S/c1-3-30(4-2)17-10-7-15(8-11-17)23(32)29-21(19-6-5-13-34-19)22(31)24(33)27-16-9-12-18-20(14-16)35-25(26)28-18/h5-14,21-22,31H,3-4H2,1-2H3,(H2,26,28)(H,27,33)(H,29,32)
InChIKeyJZOGDGYZXVSLTQ-UHFFFAOYSA-N
MW493.59 g/mol
LogP3.79
Rot. Bonds9

About N-[3-[(2-amino-1,3-benzothiazol-6-yl)amino]-1-(furan-2-yl)-2-hydroxy-3-oxopropyl]-4-(diethylamino)benzamide

N-[3-[(2-amino-1,3-benzothiazol-6-yl)amino]-1-(furan-2-yl)-2-hydroxy-3-oxopropyl]-4-(diethylamino)benzamide (PubChem CID 87093432) has the molecular formula C25H27N5O4S and a molecular weight of 493.59 g/mol. Its IUPAC name is N-[3-[(2-amino-1,3-benzothiazol-6-yl)amino]-1-(furan-2-yl)-2-hydroxy-3-oxopropyl]-4-(diethylamino)benzamide.

Molecular Properties

Compound NameN-[3-[(2-amino-1,3-benzothiazol-6-yl)amino]-1-(furan-2-yl)-2-hydroxy-3-oxopropyl]-4-(diethylamino)benzamide
PubChem CID87093432
Molecular FormulaC25H27N5O4S
Molecular Weight493.59 g/mol
Exact Mass493.18
IUPAC NameN-[3-[(2-amino-1,3-benzothiazol-6-yl)amino]-1-(furan-2-yl)-2-hydroxy-3-oxopropyl]-4-(diethylamino)benzamide
SMILESCCN(CC)c1ccc(C(=O)NC(c2ccco2)C(O)C(=O)Nc2ccc3nc(N)sc3c2)cc1
InChIInChI=1S/C25H27N5O4S/c1-3-30(4-2)17-10-7-15(8-11-17)23(32)29-21(19-6-5-13-34-19)22(31)24(33)27-16-9-12-18-20(14-16)35-25(26)28-18/h5-14,21-22,31H,3-4H2,1-2H3,(H2,26,28)(H,27,33)(H,29,32)
InChIKeyJZOGDGYZXVSLTQ-UHFFFAOYSA-N
XLogP3.79
TPSA133.72 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.59
LogP ≤ 53.79
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Analyze N-[3-[(2-amino-1,3-benzothiazol-6-yl)amino]-1-(furan-2-yl)-2-hydroxy-3-oxopropyl]-4-(diethylamino)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[3-[(1-aminoisoquinolin-6-yl)amino]-1-(furan-2-yl)-2-hydroxy-3-oxopropyl]-4-(diethylamino)benzamide
CID 76647669
2-amino-N-[(1R)-1-(furan-2-yl)ethyl]-1,3-benzothiazole-6-carboxamide
CID 81399692
N-[3-[(2-amino-3H-benzimidazol-5-yl)amino]-2-hydroxy-1-(2-methoxyphenyl)-3-oxopropyl]-4-(diethylamino)benzamide
CID 66658636
N-(2-amino-1,3-benzothiazol-6-yl)-4-ethylbenzamide
CID 94675029
N-(2-amino-1,3-benzothiazol-6-yl)benzamide
CID 823541
N-(2-amino-1,3-benzothiazol-6-yl)-4-methylbenzamide
CID 19894896
N-(2-amino-1,3-benzothiazol-6-yl)-4-tert-butylbenzamide
CID 50882062
2-amino-N-ethyl-N-(furan-2-ylmethyl)-1,3-benzothiazole-6-carboxamide
CID 65349536
N-(2-amino-1,3-benzothiazol-6-yl)-3-methylbenzamide
CID 50882009
2-amino-N-(1-thiophen-2-ylpropan-2-yl)-1,3-benzothiazole-6-carboxamide
CID 65349627
2-amino-N-(3,4-dimethylphenyl)-1,3-benzothiazole-6-carboxamide
CID 60636051
2-amino-N-(1-thiophen-2-ylpropyl)-1,3-benzothiazole-6-carboxamide
CID 65349782

Frequently Asked Questions

What is the IUPAC name of N-[3-[(2-amino-1,3-benzothiazol-6-yl)amino]-1-(furan-2-yl)-2-hydroxy-3-oxopropyl]-4-(diethylamino)benzamide?
The IUPAC name of N-[3-[(2-amino-1,3-benzothiazol-6-yl)amino]-1-(furan-2-yl)-2-hydroxy-3-oxopropyl]-4-(diethylamino)benzamide (CID 87093432) is N-[3-[(2-amino-1,3-benzothiazol-6-yl)amino]-1-(furan-2-yl)-2-hydroxy-3-oxopropyl]-4-(diethylamino)benzamide.
What is the SMILES notation for N-[3-[(2-amino-1,3-benzothiazol-6-yl)amino]-1-(furan-2-yl)-2-hydroxy-3-oxopropyl]-4-(diethylamino)benzamide?
The canonical SMILES for N-[3-[(2-amino-1,3-benzothiazol-6-yl)amino]-1-(furan-2-yl)-2-hydroxy-3-oxopropyl]-4-(diethylamino)benzamide is CCN(CC)c1ccc(C(=O)NC(c2ccco2)C(O)C(=O)Nc2ccc3nc(N)sc3c2)cc1.
What is the InChIKey of N-[3-[(2-amino-1,3-benzothiazol-6-yl)amino]-1-(furan-2-yl)-2-hydroxy-3-oxopropyl]-4-(diethylamino)benzamide?
The InChIKey is JZOGDGYZXVSLTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N5O4S/c1-3-30(4-2)17-10-7-15(8-11-17)23(32)29-21(19-6-5-13-34-19)22(31)24(33)27-16-9-12-18-20(14-16)35-25(26)28-18/h5-14,21-22,31H,3-4H2,1-2H3,(H2,26,28)(H,27,33)(H,29,32).
What are the key properties of N-[3-[(2-amino-1,3-benzothiazol-6-yl)amino]-1-(furan-2-yl)-2-hydroxy-3-oxopropyl]-4-(diethylamino)benzamide?
N-[3-[(2-amino-1,3-benzothiazol-6-yl)amino]-1-(furan-2-yl)-2-hydroxy-3-oxopropyl]-4-(diethylamino)benzamide has a molecular weight of 493.59 g/mol, XLogP of 3.79, 9 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(2-amino-1,3-benzothiazol-6-yl)amino]-1-(furan-2-yl)-2-hydroxy-3-oxopropyl]-4-(diethylamino)benzamide is sourced from PubChem (CID 87093432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).