N-(1,3-benzothiazol-2-yl)-2-[(5-chlorothiophen-2-yl)methyl-methylamino]acetamide

C15H14ClN3OS2 — CID 78821067

IUPACN-(1,3-benzothiazol-2-yl)-2-[(5-chlorothiophen-2-yl)methyl-methylamino]acetamide
SMILESCN(CC(=O)Nc1nc2ccccc2s1)Cc1ccc(Cl)s1
InChIInChI=1S/C15H14ClN3OS2/c1-19(8-10-6-7-13(16)21-10)9-14(20)18-15-17-11-4-2-3-5-12(11)22-15/h2-7H,8-9H2,1H3,(H,17,18,20)
InChIKeyCIDFTXULSZFMPU-UHFFFAOYSA-N
MW351.88 g/mol
LogP4.08
Rot. Bonds5

About N-(1,3-benzothiazol-2-yl)-2-[(5-chlorothiophen-2-yl)methyl-methylamino]acetamide

N-(1,3-benzothiazol-2-yl)-2-[(5-chlorothiophen-2-yl)methyl-methylamino]acetamide (PubChem CID 78821067) has the molecular formula C15H14ClN3OS2 and a molecular weight of 351.88 g/mol. Its IUPAC name is N-(1,3-benzothiazol-2-yl)-2-[(5-chlorothiophen-2-yl)methyl-methylamino]acetamide.

Molecular Properties

Compound NameN-(1,3-benzothiazol-2-yl)-2-[(5-chlorothiophen-2-yl)methyl-methylamino]acetamide
PubChem CID78821067
Molecular FormulaC15H14ClN3OS2
Molecular Weight351.88 g/mol
Exact Mass351.03
IUPAC NameN-(1,3-benzothiazol-2-yl)-2-[(5-chlorothiophen-2-yl)methyl-methylamino]acetamide
SMILESCN(CC(=O)Nc1nc2ccccc2s1)Cc1ccc(Cl)s1
InChIInChI=1S/C15H14ClN3OS2/c1-19(8-10-6-7-13(16)21-10)9-14(20)18-15-17-11-4-2-3-5-12(11)22-15/h2-7H,8-9H2,1H3,(H,17,18,20)
InChIKeyCIDFTXULSZFMPU-UHFFFAOYSA-N
XLogP4.08
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.88
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(5-chlorothiophen-2-yl)methyl-methylamino]-N-phenylacetamide
CID 9294194
N-(1,3-benzothiazol-2-yl)-2-[(1,3-dimethylpyrazol-4-yl)methyl-methylamino]acetamide
CID 22196315
2-[(5-chlorothiophen-2-yl)methyl-methylamino]-N-[(1S)-1-phenylethyl]acetamide
CID 9294268
2-[benzenesulfonyl(methyl)amino]-N-(1,3-benzothiazol-2-yl)acetamide
CID 2219880
N-(1,3-benzothiazol-2-yl)-2-[bis(2-hydroxyethyl)amino]acetamide
CID 60686532
N-tert-butyl-2-[(5-chlorothiophen-2-yl)methyl-methylamino]acetamide
CID 51223592
2-[1,3-benzothiazol-2-ylcarbamoyl(methyl)amino]-N-(3,4-dichlorophenyl)acetamide
CID 30260232
N-(1,3-benzothiazol-2-yl)-3-[butyl(methyl)amino]propanamide
CID 108806837
2-[(5-chlorothiophen-2-yl)methyl-methylamino]-N-(3-methylphenyl)acetamide
CID 9294021
N-[2-(1,3-benzothiazol-2-ylamino)-2-oxoethyl]propanamide
CID 47412721
1-[(5-chlorothiophen-2-yl)methyl-methylamino]propan-2-one
CID 62053436
N-(1,3-benzothiazol-2-yl)-3,3-dimethylbutanamide
CID 710830

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzothiazol-2-yl)-2-[(5-chlorothiophen-2-yl)methyl-methylamino]acetamide?
The IUPAC name of N-(1,3-benzothiazol-2-yl)-2-[(5-chlorothiophen-2-yl)methyl-methylamino]acetamide (CID 78821067) is N-(1,3-benzothiazol-2-yl)-2-[(5-chlorothiophen-2-yl)methyl-methylamino]acetamide.
What is the SMILES notation for N-(1,3-benzothiazol-2-yl)-2-[(5-chlorothiophen-2-yl)methyl-methylamino]acetamide?
The canonical SMILES for N-(1,3-benzothiazol-2-yl)-2-[(5-chlorothiophen-2-yl)methyl-methylamino]acetamide is CN(CC(=O)Nc1nc2ccccc2s1)Cc1ccc(Cl)s1.
What is the InChIKey of N-(1,3-benzothiazol-2-yl)-2-[(5-chlorothiophen-2-yl)methyl-methylamino]acetamide?
The InChIKey is CIDFTXULSZFMPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClN3OS2/c1-19(8-10-6-7-13(16)21-10)9-14(20)18-15-17-11-4-2-3-5-12(11)22-15/h2-7H,8-9H2,1H3,(H,17,18,20).
What are the key properties of N-(1,3-benzothiazol-2-yl)-2-[(5-chlorothiophen-2-yl)methyl-methylamino]acetamide?
N-(1,3-benzothiazol-2-yl)-2-[(5-chlorothiophen-2-yl)methyl-methylamino]acetamide has a molecular weight of 351.88 g/mol, XLogP of 4.08, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzothiazol-2-yl)-2-[(5-chlorothiophen-2-yl)methyl-methylamino]acetamide is sourced from PubChem (CID 78821067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).