N-[2-[[2-[1,3-benzothiazol-2-ylmethyl(methyl)amino]-2-oxoethyl]amino]-2-oxoethyl]thiophene-2-carboxamide

C18H18N4O3S2 — CID 9393656

IUPACN-[2-[[2-[1,3-benzothiazol-2-ylmethyl(methyl)amino]-2-oxoethyl]amino]-2-oxoethyl]thiophene-2-carboxamide
SMILESCN(Cc1nc2ccccc2s1)C(=O)CNC(=O)CNC(=O)c1cccs1
InChIInChI=1S/C18H18N4O3S2/c1-22(11-16-21-12-5-2-3-6-13(12)27-16)17(24)10-19-15(23)9-20-18(25)14-7-4-8-26-14/h2-8H,9-11H2,1H3,(H,19,23)(H,20,25)
InChIKeyWVCMVXRUTCZDHB-UHFFFAOYSA-N
MW402.50 g/mol
LogP1.86
Rot. Bonds7

About N-[2-[[2-[1,3-benzothiazol-2-ylmethyl(methyl)amino]-2-oxoethyl]amino]-2-oxoethyl]thiophene-2-carboxamide

N-[2-[[2-[1,3-benzothiazol-2-ylmethyl(methyl)amino]-2-oxoethyl]amino]-2-oxoethyl]thiophene-2-carboxamide (PubChem CID 9393656) has the molecular formula C18H18N4O3S2 and a molecular weight of 402.50 g/mol. Its IUPAC name is N-[2-[[2-[1,3-benzothiazol-2-ylmethyl(methyl)amino]-2-oxoethyl]amino]-2-oxoethyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[2-[[2-[1,3-benzothiazol-2-ylmethyl(methyl)amino]-2-oxoethyl]amino]-2-oxoethyl]thiophene-2-carboxamide
PubChem CID9393656
Molecular FormulaC18H18N4O3S2
Molecular Weight402.50 g/mol
Exact Mass402.08
IUPAC NameN-[2-[[2-[1,3-benzothiazol-2-ylmethyl(methyl)amino]-2-oxoethyl]amino]-2-oxoethyl]thiophene-2-carboxamide
SMILESCN(Cc1nc2ccccc2s1)C(=O)CNC(=O)CNC(=O)c1cccs1
InChIInChI=1S/C18H18N4O3S2/c1-22(11-16-21-12-5-2-3-6-13(12)27-16)17(24)10-19-15(23)9-20-18(25)14-7-4-8-26-14/h2-8H,9-11H2,1H3,(H,19,23)(H,20,25)
InChIKeyWVCMVXRUTCZDHB-UHFFFAOYSA-N
XLogP1.86
TPSA91.40 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.50
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[2-[[2-[1,3-benzothiazol-2-ylmethyl(methyl)amino]-2-oxoethyl]amino]-2-oxoethyl]thiophene-2-carboxamide with MolForge

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Related Compounds

N-(1,3-benzothiazol-2-ylmethyl)thiophene-2-carboxamide
CID 18110672
N-[(2S)-1-[1,3-benzothiazol-2-ylmethyl(methyl)amino]-1-oxo-3-phenylpropan-2-yl]thiophene-2-carboxamide
CID 31549169
N-(1,3-benzothiazol-2-ylmethyl)-2-(ethylamino)-N-methylacetamide
CID 60672956
N-[2-[(2-bromophenyl)methyl-methylamino]-2-oxoethyl]thiophene-2-carboxamide
CID 31215629
N-[2-[methyl-[(4-methylphenyl)methyl]amino]-2-oxoethyl]thiophene-2-carboxamide
CID 18114369
N-[2-[(5-bromothiophen-2-yl)methyl-methylamino]-2-oxoethyl]thiophene-2-carboxamide
CID 9108741
5-acetamido-N-(1,3-benzothiazol-2-ylmethyl)-N-methylthiophene-2-carboxamide
CID 24611300
1-(1,3-benzothiazol-2-ylmethyl)-3-ethyl-1-methylurea
CID 47128028
N-(1,3-benzothiazol-2-ylmethyl)-3-chloro-N-methylpropanamide
CID 43346972
N-[2-(1,3-benzothiazol-2-ylmethylamino)-2-oxoethyl]-5-methylthiophene-2-carboxamide
CID 18110779
[2-[1,3-benzothiazol-2-ylmethyl(methyl)amino]-2-oxoethyl]-[(S)-phenyl(thiophen-2-yl)methyl]azanium
CID 8865544
N-[2-[methyl(2-methylpropyl)amino]-2-oxoethyl]thiophene-2-carboxamide
CID 134058776

Frequently Asked Questions

What is the IUPAC name of N-[2-[[2-[1,3-benzothiazol-2-ylmethyl(methyl)amino]-2-oxoethyl]amino]-2-oxoethyl]thiophene-2-carboxamide?
The IUPAC name of N-[2-[[2-[1,3-benzothiazol-2-ylmethyl(methyl)amino]-2-oxoethyl]amino]-2-oxoethyl]thiophene-2-carboxamide (CID 9393656) is N-[2-[[2-[1,3-benzothiazol-2-ylmethyl(methyl)amino]-2-oxoethyl]amino]-2-oxoethyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[2-[[2-[1,3-benzothiazol-2-ylmethyl(methyl)amino]-2-oxoethyl]amino]-2-oxoethyl]thiophene-2-carboxamide?
The canonical SMILES for N-[2-[[2-[1,3-benzothiazol-2-ylmethyl(methyl)amino]-2-oxoethyl]amino]-2-oxoethyl]thiophene-2-carboxamide is CN(Cc1nc2ccccc2s1)C(=O)CNC(=O)CNC(=O)c1cccs1.
What is the InChIKey of N-[2-[[2-[1,3-benzothiazol-2-ylmethyl(methyl)amino]-2-oxoethyl]amino]-2-oxoethyl]thiophene-2-carboxamide?
The InChIKey is WVCMVXRUTCZDHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O3S2/c1-22(11-16-21-12-5-2-3-6-13(12)27-16)17(24)10-19-15(23)9-20-18(25)14-7-4-8-26-14/h2-8H,9-11H2,1H3,(H,19,23)(H,20,25).
What are the key properties of N-[2-[[2-[1,3-benzothiazol-2-ylmethyl(methyl)amino]-2-oxoethyl]amino]-2-oxoethyl]thiophene-2-carboxamide?
N-[2-[[2-[1,3-benzothiazol-2-ylmethyl(methyl)amino]-2-oxoethyl]amino]-2-oxoethyl]thiophene-2-carboxamide has a molecular weight of 402.50 g/mol, XLogP of 1.86, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[2-[1,3-benzothiazol-2-ylmethyl(methyl)amino]-2-oxoethyl]amino]-2-oxoethyl]thiophene-2-carboxamide is sourced from PubChem (CID 9393656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).