2-amino-2-(4-chlorophenyl)-N-[6-(1H-pyrazol-4-yl)-1,3-benzothiazol-2-yl]acetamide

C18H14ClN5OS — CID 89091069

IUPAC2-amino-2-(4-chlorophenyl)-N-[6-(1H-pyrazol-4-yl)-1,3-benzothiazol-2-yl]acetamide
SMILESNC(C(=O)Nc1nc2ccc(-c3cn[nH]c3)cc2s1)c1ccc(Cl)cc1
InChIInChI=1S/C18H14ClN5OS/c19-13-4-1-10(2-5-13)16(20)17(25)24-18-23-14-6-3-11(7-15(14)26-18)12-8-21-22-9-12/h1-9,16H,20H2,(H,21,22)(H,23,24,25)
InChIKeyTUXZARXYBWJURF-UHFFFAOYSA-N
MW383.86 g/mol
LogP3.98
Rot. Bonds4

About 2-amino-2-(4-chlorophenyl)-N-[6-(1H-pyrazol-4-yl)-1,3-benzothiazol-2-yl]acetamide

2-amino-2-(4-chlorophenyl)-N-[6-(1H-pyrazol-4-yl)-1,3-benzothiazol-2-yl]acetamide (PubChem CID 89091069) has the molecular formula C18H14ClN5OS and a molecular weight of 383.86 g/mol. Its IUPAC name is 2-amino-2-(4-chlorophenyl)-N-[6-(1H-pyrazol-4-yl)-1,3-benzothiazol-2-yl]acetamide.

Molecular Properties

Compound Name2-amino-2-(4-chlorophenyl)-N-[6-(1H-pyrazol-4-yl)-1,3-benzothiazol-2-yl]acetamide
PubChem CID89091069
Molecular FormulaC18H14ClN5OS
Molecular Weight383.86 g/mol
Exact Mass383.06
IUPAC Name2-amino-2-(4-chlorophenyl)-N-[6-(1H-pyrazol-4-yl)-1,3-benzothiazol-2-yl]acetamide
SMILESNC(C(=O)Nc1nc2ccc(-c3cn[nH]c3)cc2s1)c1ccc(Cl)cc1
InChIInChI=1S/C18H14ClN5OS/c19-13-4-1-10(2-5-13)16(20)17(25)24-18-23-14-6-3-11(7-15(14)26-18)12-8-21-22-9-12/h1-9,16H,20H2,(H,21,22)(H,23,24,25)
InChIKeyTUXZARXYBWJURF-UHFFFAOYSA-N
XLogP3.98
TPSA96.69 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.86
LogP ≤ 53.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-2-amino-N-(6-chloro-1,3-benzothiazol-2-yl)-2-phenylacetamide
CID 29048022
2-[[2-amino-2-(4-chlorophenyl)acetyl]amino]-N,N-dimethyl-5-(1H-pyrazol-4-yl)benzamide;bis(2,2,2-trifluoroacetic acid)
CID 117075666
N-[6-(3-chloro-4-fluorophenyl)-1,3-benzothiazol-2-yl]acetamide
CID 132578588
2-(4-chlorophenyl)-2-[4-(1H-pyrazol-4-yl)phenyl]acetamide
CID 11197714
(2S)-2-amino-N-(6-chloro-1,3-benzothiazol-2-yl)-4-methylpentanamide
CID 14285781
(2S)-2-(4-chlorophenyl)-3-methyl-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)butanamide
CID 40891449
(2S)-2-amino-N-(6-chloro-1,3-benzothiazol-2-yl)hexanamide
CID 107143831
2-amino-N-(6-chloro-1,3-benzothiazol-2-yl)hexanamide
CID 60852925
4-chloro-N-(6-chloro-1,3-benzothiazol-2-yl)benzamide
CID 739315
N-(6-chloro-1,3-benzothiazol-2-yl)cyclobutanecarboxamide
CID 836745
N-[6-(6-chloropyrazin-2-yl)-1,3-benzothiazol-2-yl]acetamide
CID 51354316
(2S,3R)-3-[[6-(4-chlorophenyl)-1,3-benzothiazol-2-yl]carbamoyl]bicyclo[2.2.1]hept-5-ene-2-carboxylic acid
CID 168973747

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-(4-chlorophenyl)-N-[6-(1H-pyrazol-4-yl)-1,3-benzothiazol-2-yl]acetamide?
The IUPAC name of 2-amino-2-(4-chlorophenyl)-N-[6-(1H-pyrazol-4-yl)-1,3-benzothiazol-2-yl]acetamide (CID 89091069) is 2-amino-2-(4-chlorophenyl)-N-[6-(1H-pyrazol-4-yl)-1,3-benzothiazol-2-yl]acetamide.
What is the SMILES notation for 2-amino-2-(4-chlorophenyl)-N-[6-(1H-pyrazol-4-yl)-1,3-benzothiazol-2-yl]acetamide?
The canonical SMILES for 2-amino-2-(4-chlorophenyl)-N-[6-(1H-pyrazol-4-yl)-1,3-benzothiazol-2-yl]acetamide is NC(C(=O)Nc1nc2ccc(-c3cn[nH]c3)cc2s1)c1ccc(Cl)cc1.
What is the InChIKey of 2-amino-2-(4-chlorophenyl)-N-[6-(1H-pyrazol-4-yl)-1,3-benzothiazol-2-yl]acetamide?
The InChIKey is TUXZARXYBWJURF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14ClN5OS/c19-13-4-1-10(2-5-13)16(20)17(25)24-18-23-14-6-3-11(7-15(14)26-18)12-8-21-22-9-12/h1-9,16H,20H2,(H,21,22)(H,23,24,25).
What are the key properties of 2-amino-2-(4-chlorophenyl)-N-[6-(1H-pyrazol-4-yl)-1,3-benzothiazol-2-yl]acetamide?
2-amino-2-(4-chlorophenyl)-N-[6-(1H-pyrazol-4-yl)-1,3-benzothiazol-2-yl]acetamide has a molecular weight of 383.86 g/mol, XLogP of 3.98, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-(4-chlorophenyl)-N-[6-(1H-pyrazol-4-yl)-1,3-benzothiazol-2-yl]acetamide is sourced from PubChem (CID 89091069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).