N-[4-[3-[(4-methyl-1,3-benzothiazol-2-yl)amino]-3-oxopropyl]-1,3-thiazol-2-yl]furan-2-carboxamide

C19H16N4O3S2 — CID 42208787

IUPACN-[4-[3-[(4-methyl-1,3-benzothiazol-2-yl)amino]-3-oxopropyl]-1,3-thiazol-2-yl]furan-2-carboxamide
SMILESCc1cccc2sc(NC(=O)CCc3csc(NC(=O)c4ccco4)n3)nc12
InChIInChI=1S/C19H16N4O3S2/c1-11-4-2-6-14-16(11)22-19(28-14)21-15(24)8-7-12-10-27-18(20-12)23-17(25)13-5-3-9-26-13/h2-6,9-10H,7-8H2,1H3,(H,20,23,25)(H,21,22,24)
InChIKeyZKYXHTDRNBJKTO-UHFFFAOYSA-N
MW412.50 g/mol
LogP4.48
Rot. Bonds6

About N-[4-[3-[(4-methyl-1,3-benzothiazol-2-yl)amino]-3-oxopropyl]-1,3-thiazol-2-yl]furan-2-carboxamide

N-[4-[3-[(4-methyl-1,3-benzothiazol-2-yl)amino]-3-oxopropyl]-1,3-thiazol-2-yl]furan-2-carboxamide (PubChem CID 42208787) has the molecular formula C19H16N4O3S2 and a molecular weight of 412.50 g/mol. Its IUPAC name is N-[4-[3-[(4-methyl-1,3-benzothiazol-2-yl)amino]-3-oxopropyl]-1,3-thiazol-2-yl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[4-[3-[(4-methyl-1,3-benzothiazol-2-yl)amino]-3-oxopropyl]-1,3-thiazol-2-yl]furan-2-carboxamide
PubChem CID42208787
Molecular FormulaC19H16N4O3S2
Molecular Weight412.50 g/mol
Exact Mass412.07
IUPAC NameN-[4-[3-[(4-methyl-1,3-benzothiazol-2-yl)amino]-3-oxopropyl]-1,3-thiazol-2-yl]furan-2-carboxamide
SMILESCc1cccc2sc(NC(=O)CCc3csc(NC(=O)c4ccco4)n3)nc12
InChIInChI=1S/C19H16N4O3S2/c1-11-4-2-6-14-16(11)22-19(28-14)21-15(24)8-7-12-10-27-18(20-12)23-17(25)13-5-3-9-26-13/h2-6,9-10H,7-8H2,1H3,(H,20,23,25)(H,21,22,24)
InChIKeyZKYXHTDRNBJKTO-UHFFFAOYSA-N
XLogP4.48
TPSA97.12 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.50
LogP ≤ 54.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-[4-[3-[(4-methyl-1,3-benzothiazol-2-yl)amino]-3-oxopropyl]-1,3-thiazol-2-yl]furan-2-carboxamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[4-[3-[(4-methyl-1,3-benzothiazol-2-yl)amino]-3-oxopropyl]-1,3-thiazol-2-yl]furan-2-carboxamide?
The IUPAC name of N-[4-[3-[(4-methyl-1,3-benzothiazol-2-yl)amino]-3-oxopropyl]-1,3-thiazol-2-yl]furan-2-carboxamide (CID 42208787) is N-[4-[3-[(4-methyl-1,3-benzothiazol-2-yl)amino]-3-oxopropyl]-1,3-thiazol-2-yl]furan-2-carboxamide.
What is the SMILES notation for N-[4-[3-[(4-methyl-1,3-benzothiazol-2-yl)amino]-3-oxopropyl]-1,3-thiazol-2-yl]furan-2-carboxamide?
The canonical SMILES for N-[4-[3-[(4-methyl-1,3-benzothiazol-2-yl)amino]-3-oxopropyl]-1,3-thiazol-2-yl]furan-2-carboxamide is Cc1cccc2sc(NC(=O)CCc3csc(NC(=O)c4ccco4)n3)nc12.
What is the InChIKey of N-[4-[3-[(4-methyl-1,3-benzothiazol-2-yl)amino]-3-oxopropyl]-1,3-thiazol-2-yl]furan-2-carboxamide?
The InChIKey is ZKYXHTDRNBJKTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4O3S2/c1-11-4-2-6-14-16(11)22-19(28-14)21-15(24)8-7-12-10-27-18(20-12)23-17(25)13-5-3-9-26-13/h2-6,9-10H,7-8H2,1H3,(H,20,23,25)(H,21,22,24).
What are the key properties of N-[4-[3-[(4-methyl-1,3-benzothiazol-2-yl)amino]-3-oxopropyl]-1,3-thiazol-2-yl]furan-2-carboxamide?
N-[4-[3-[(4-methyl-1,3-benzothiazol-2-yl)amino]-3-oxopropyl]-1,3-thiazol-2-yl]furan-2-carboxamide has a molecular weight of 412.50 g/mol, XLogP of 4.48, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[3-[(4-methyl-1,3-benzothiazol-2-yl)amino]-3-oxopropyl]-1,3-thiazol-2-yl]furan-2-carboxamide is sourced from PubChem (CID 42208787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).