2-[ethyl(methyl)amino]ethyl N-[2-(1,3-benzothiazole-2-carbonylamino)thiophene-3-carbonyl]carbamate

C19H20N4O4S2 — CID 121467082

IUPAC2-[ethyl(methyl)amino]ethyl N-[2-(1,3-benzothiazole-2-carbonylamino)thiophene-3-carbonyl]carbamate
SMILESCCN(C)CCOC(=O)NC(=O)c1ccsc1NC(=O)c1nc2ccccc2s1
InChIInChI=1S/C19H20N4O4S2/c1-3-23(2)9-10-27-19(26)22-15(24)12-8-11-28-17(12)21-16(25)18-20-13-6-4-5-7-14(13)29-18/h4-8,11H,3,9-10H2,1-2H3,(H,21,25)(H,22,24,26)
InChIKeyPFWZAZNABLKJEW-UHFFFAOYSA-N
MW432.53 g/mol
LogP3.43
Rot. Bonds7

About 2-[ethyl(methyl)amino]ethyl N-[2-(1,3-benzothiazole-2-carbonylamino)thiophene-3-carbonyl]carbamate

2-[ethyl(methyl)amino]ethyl N-[2-(1,3-benzothiazole-2-carbonylamino)thiophene-3-carbonyl]carbamate (PubChem CID 121467082) has the molecular formula C19H20N4O4S2 and a molecular weight of 432.53 g/mol. Its IUPAC name is 2-[ethyl(methyl)amino]ethyl N-[2-(1,3-benzothiazole-2-carbonylamino)thiophene-3-carbonyl]carbamate.

Molecular Properties

Compound Name2-[ethyl(methyl)amino]ethyl N-[2-(1,3-benzothiazole-2-carbonylamino)thiophene-3-carbonyl]carbamate
PubChem CID121467082
Molecular FormulaC19H20N4O4S2
Molecular Weight432.53 g/mol
Exact Mass432.09
IUPAC Name2-[ethyl(methyl)amino]ethyl N-[2-(1,3-benzothiazole-2-carbonylamino)thiophene-3-carbonyl]carbamate
SMILESCCN(C)CCOC(=O)NC(=O)c1ccsc1NC(=O)c1nc2ccccc2s1
InChIInChI=1S/C19H20N4O4S2/c1-3-23(2)9-10-27-19(26)22-15(24)12-8-11-28-17(12)21-16(25)18-20-13-6-4-5-7-14(13)29-18/h4-8,11H,3,9-10H2,1-2H3,(H,21,25)(H,22,24,26)
InChIKeyPFWZAZNABLKJEW-UHFFFAOYSA-N
XLogP3.43
TPSA100.63 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.53
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

N-[3-(ethylcarbamoylcarbamoyl)thiophen-2-yl]-1,3-benzothiazole-2-carboxamide
CID 86582594
ethyl N-[2-(1,3-benzothiazole-2-carbonylamino)thiophene-3-carbonyl]sulfamate
CID 86582593
methyl 3-[[2-(1,3-benzothiazole-2-carbonylamino)thiophene-3-carbonyl]amino]propanoate
CID 121464857
ethyl N-[2-[(5-chloro-1,3-benzothiazole-2-carbonyl)amino]thiophene-3-carbonyl]carbamate
CID 86581527
ethyl N-[2-[[4-(dimethylamino)-[1,3]thiazolo[4,5-c]pyridine-2-carbonyl]amino]thiophene-3-carbonyl]carbamate
CID 121464893
ethyl N-[2-[(6-chloro-[1,3]thiazolo[4,5-c]pyridine-2-carbonyl)amino]thiophene-3-carbonyl]carbamate
CID 121464885
ethyl N-[2-[(6-methyl-[1,3]thiazolo[4,5-b]pyridine-2-carbonyl)amino]thiophene-3-carbonyl]carbamate
CID 121465032
N-[3-(4-methylsulfonylpiperazine-1-carbonyl)thiophen-2-yl]-1,3-benzothiazole-2-carboxamide
CID 121464850
ethyl N-[2-(1,3-benzothiazole-2-carbonylamino)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carbonyl]carbamate
CID 7521531
ethyl N-[2-(1,3-benzothiazole-2-carbonylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonyl]carbamate
CID 44917872
N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)thiophen-2-yl]-1,3-benzothiazole-2-carboxamide
CID 91814331
ethyl 5-(1,3-benzothiazole-2-carbonylamino)-4-carbamoyl-3-methylthiophene-2-carboxylate
CID 7521205

Frequently Asked Questions

What is the IUPAC name of 2-[ethyl(methyl)amino]ethyl N-[2-(1,3-benzothiazole-2-carbonylamino)thiophene-3-carbonyl]carbamate?
The IUPAC name of 2-[ethyl(methyl)amino]ethyl N-[2-(1,3-benzothiazole-2-carbonylamino)thiophene-3-carbonyl]carbamate (CID 121467082) is 2-[ethyl(methyl)amino]ethyl N-[2-(1,3-benzothiazole-2-carbonylamino)thiophene-3-carbonyl]carbamate.
What is the SMILES notation for 2-[ethyl(methyl)amino]ethyl N-[2-(1,3-benzothiazole-2-carbonylamino)thiophene-3-carbonyl]carbamate?
The canonical SMILES for 2-[ethyl(methyl)amino]ethyl N-[2-(1,3-benzothiazole-2-carbonylamino)thiophene-3-carbonyl]carbamate is CCN(C)CCOC(=O)NC(=O)c1ccsc1NC(=O)c1nc2ccccc2s1.
What is the InChIKey of 2-[ethyl(methyl)amino]ethyl N-[2-(1,3-benzothiazole-2-carbonylamino)thiophene-3-carbonyl]carbamate?
The InChIKey is PFWZAZNABLKJEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O4S2/c1-3-23(2)9-10-27-19(26)22-15(24)12-8-11-28-17(12)21-16(25)18-20-13-6-4-5-7-14(13)29-18/h4-8,11H,3,9-10H2,1-2H3,(H,21,25)(H,22,24,26).
What are the key properties of 2-[ethyl(methyl)amino]ethyl N-[2-(1,3-benzothiazole-2-carbonylamino)thiophene-3-carbonyl]carbamate?
2-[ethyl(methyl)amino]ethyl N-[2-(1,3-benzothiazole-2-carbonylamino)thiophene-3-carbonyl]carbamate has a molecular weight of 432.53 g/mol, XLogP of 3.43, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl(methyl)amino]ethyl N-[2-(1,3-benzothiazole-2-carbonylamino)thiophene-3-carbonyl]carbamate is sourced from PubChem (CID 121467082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).