N-[2-[(3-chlorobenzoyl)amino]-1,3-benzothiazol-6-yl]-1,3-thiazole-4-carboxamide

C18H11ClN4O2S2 — CID 90144262

IUPACN-[2-[(3-chlorobenzoyl)amino]-1,3-benzothiazol-6-yl]-1,3-thiazole-4-carboxamide
SMILESO=C(Nc1nc2ccc(NC(=O)c3cscn3)cc2s1)c1cccc(Cl)c1
InChIInChI=1S/C18H11ClN4O2S2/c19-11-3-1-2-10(6-11)16(24)23-18-22-13-5-4-12(7-15(13)27-18)21-17(25)14-8-26-9-20-14/h1-9H,(H,21,25)(H,22,23,24)
InChIKeyQVUNLOAPXKMFOW-UHFFFAOYSA-N
MW414.90 g/mol
LogP4.91
Rot. Bonds4

About N-[2-[(3-chlorobenzoyl)amino]-1,3-benzothiazol-6-yl]-1,3-thiazole-4-carboxamide

N-[2-[(3-chlorobenzoyl)amino]-1,3-benzothiazol-6-yl]-1,3-thiazole-4-carboxamide (PubChem CID 90144262) has the molecular formula C18H11ClN4O2S2 and a molecular weight of 414.90 g/mol. Its IUPAC name is N-[2-[(3-chlorobenzoyl)amino]-1,3-benzothiazol-6-yl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-[2-[(3-chlorobenzoyl)amino]-1,3-benzothiazol-6-yl]-1,3-thiazole-4-carboxamide
PubChem CID90144262
Molecular FormulaC18H11ClN4O2S2
Molecular Weight414.90 g/mol
Exact Mass414.00
IUPAC NameN-[2-[(3-chlorobenzoyl)amino]-1,3-benzothiazol-6-yl]-1,3-thiazole-4-carboxamide
SMILESO=C(Nc1nc2ccc(NC(=O)c3cscn3)cc2s1)c1cccc(Cl)c1
InChIInChI=1S/C18H11ClN4O2S2/c19-11-3-1-2-10(6-11)16(24)23-18-22-13-5-4-12(7-15(13)27-18)21-17(25)14-8-26-9-20-14/h1-9H,(H,21,25)(H,22,23,24)
InChIKeyQVUNLOAPXKMFOW-UHFFFAOYSA-N
XLogP4.91
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.90
LogP ≤ 54.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-chloro-N-(2-methyl-1,3-benzothiazol-6-yl)benzamide
CID 7915285
N-(2-acetamido-1,3-benzothiazol-5-yl)-3-chlorobenzamide
CID 46328625
N-[6-[2-(3-cyanophenyl)propanoylamino]-1,3-benzothiazol-2-yl]-1,3-thiazole-4-carboxamide
CID 90144252
N-[2-(naphthalene-2-carbonylamino)-1,3-benzothiazol-6-yl]naphthalene-2-carboxamide
CID 4025738
N-(6-chloro-1,3-benzothiazol-2-yl)-3-iodobenzamide
CID 3606712
N-[2-[2-[3-(trifluoromethyl)phenyl]pentanoylamino]-1,3-benzothiazol-6-yl]-1,3-thiazole-4-carboxamide
CID 90144222
N-[6-[2-(3,5-dicyanophenyl)propanoylamino]-1,3-benzothiazol-2-yl]-1,3-thiazole-4-carboxamide
CID 90144209
4-chloro-N-(6-chloro-1,3-benzothiazol-2-yl)benzamide
CID 739315
3-chloro-N-([1,3]dioxolo[4,5-f][1,3]benzothiazol-6-yl)benzamide
CID 7202716
N-[6-[[5-hydroxy-2-[3-(trifluoromethyl)phenyl]pentanoyl]amino]-1,3-benzothiazol-2-yl]-1,3-thiazole-4-carboxamide
CID 74222776
N-(2-benzamido-1,3-benzothiazol-6-yl)-5-chloro-1H-indole-2-carboxamide
CID 46290900
3-chloro-N-[2-(cyclohexanecarbonylamino)-1,3-benzothiazol-5-yl]benzamide
CID 46328690

Frequently Asked Questions

What is the IUPAC name of N-[2-[(3-chlorobenzoyl)amino]-1,3-benzothiazol-6-yl]-1,3-thiazole-4-carboxamide?
The IUPAC name of N-[2-[(3-chlorobenzoyl)amino]-1,3-benzothiazol-6-yl]-1,3-thiazole-4-carboxamide (CID 90144262) is N-[2-[(3-chlorobenzoyl)amino]-1,3-benzothiazol-6-yl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-[2-[(3-chlorobenzoyl)amino]-1,3-benzothiazol-6-yl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-[2-[(3-chlorobenzoyl)amino]-1,3-benzothiazol-6-yl]-1,3-thiazole-4-carboxamide is O=C(Nc1nc2ccc(NC(=O)c3cscn3)cc2s1)c1cccc(Cl)c1.
What is the InChIKey of N-[2-[(3-chlorobenzoyl)amino]-1,3-benzothiazol-6-yl]-1,3-thiazole-4-carboxamide?
The InChIKey is QVUNLOAPXKMFOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11ClN4O2S2/c19-11-3-1-2-10(6-11)16(24)23-18-22-13-5-4-12(7-15(13)27-18)21-17(25)14-8-26-9-20-14/h1-9H,(H,21,25)(H,22,23,24).
What are the key properties of N-[2-[(3-chlorobenzoyl)amino]-1,3-benzothiazol-6-yl]-1,3-thiazole-4-carboxamide?
N-[2-[(3-chlorobenzoyl)amino]-1,3-benzothiazol-6-yl]-1,3-thiazole-4-carboxamide has a molecular weight of 414.90 g/mol, XLogP of 4.91, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(3-chlorobenzoyl)amino]-1,3-benzothiazol-6-yl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 90144262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).