N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-3-chloro-1-benzothiophene-2-carboxamide

C14H10ClN3O2S2 — CID 17463764

IUPACN-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-3-chloro-1-benzothiophene-2-carboxamide
SMILESNC(=O)Cc1csc(NC(=O)c2sc3ccccc3c2Cl)n1
InChIInChI=1S/C14H10ClN3O2S2/c15-11-8-3-1-2-4-9(8)22-12(11)13(20)18-14-17-7(6-21-14)5-10(16)19/h1-4,6H,5H2,(H2,16,19)(H,17,18,20)
InChIKeyZINOFXZHLRFEGV-UHFFFAOYSA-N
MW351.84 g/mol
LogP3.29
Rot. Bonds4

About N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-3-chloro-1-benzothiophene-2-carboxamide

N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-3-chloro-1-benzothiophene-2-carboxamide (PubChem CID 17463764) has the molecular formula C14H10ClN3O2S2 and a molecular weight of 351.84 g/mol. Its IUPAC name is N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-3-chloro-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound NameN-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-3-chloro-1-benzothiophene-2-carboxamide
PubChem CID17463764
Molecular FormulaC14H10ClN3O2S2
Molecular Weight351.84 g/mol
Exact Mass350.99
IUPAC NameN-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-3-chloro-1-benzothiophene-2-carboxamide
SMILESNC(=O)Cc1csc(NC(=O)c2sc3ccccc3c2Cl)n1
InChIInChI=1S/C14H10ClN3O2S2/c15-11-8-3-1-2-4-9(8)22-12(11)13(20)18-14-17-7(6-21-14)5-10(16)19/h1-4,6H,5H2,(H2,16,19)(H,17,18,20)
InChIKeyZINOFXZHLRFEGV-UHFFFAOYSA-N
XLogP3.29
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.84
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]naphthalene-1-carboxamide
CID 17449882
3-chloro-N-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]-1-benzothiophene-2-carboxamide
CID 5221339
N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-3-chloro-1-benzothiophene-2-carboxamide
CID 26894026
N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-4-benzamidobenzamide
CID 24658588
3-chloro-1-benzothiophene-2-carbohydrazide
CID 606925
3-chloro-N-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]-1-benzothiophene-2-carboxamide
CID 1358970
N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]naphthalene-2-carboxamide
CID 33391273
2-methylpropyl 2-[(3-chloro-1-benzothiophene-2-carbonyl)amino]-4-methyl-1,3-thiazole-5-carboxylate
CID 4501714
3-chloro-N-[5-[(2-fluorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-1-benzothiophene-2-carboxamide
CID 18864830
N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-4-methoxybenzamide
CID 18139552
3-chloro-N-(2H-tetrazol-5-yl)-1-benzothiophene-2-carboxamide
CID 2851499
3-chloro-N-[5-(thiophen-2-ylmethylsulfanyl)-1,3,4-thiadiazol-2-yl]-1-benzothiophene-2-carboxamide
CID 55382652

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-3-chloro-1-benzothiophene-2-carboxamide?
The IUPAC name of N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-3-chloro-1-benzothiophene-2-carboxamide (CID 17463764) is N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-3-chloro-1-benzothiophene-2-carboxamide.
What is the SMILES notation for N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-3-chloro-1-benzothiophene-2-carboxamide?
The canonical SMILES for N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-3-chloro-1-benzothiophene-2-carboxamide is NC(=O)Cc1csc(NC(=O)c2sc3ccccc3c2Cl)n1.
What is the InChIKey of N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-3-chloro-1-benzothiophene-2-carboxamide?
The InChIKey is ZINOFXZHLRFEGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClN3O2S2/c15-11-8-3-1-2-4-9(8)22-12(11)13(20)18-14-17-7(6-21-14)5-10(16)19/h1-4,6H,5H2,(H2,16,19)(H,17,18,20).
What are the key properties of N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-3-chloro-1-benzothiophene-2-carboxamide?
N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-3-chloro-1-benzothiophene-2-carboxamide has a molecular weight of 351.84 g/mol, XLogP of 3.29, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-3-chloro-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 17463764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).