3-(ethylcarbamoylamino)-N-(2-methyl-1,3-benzothiazol-6-yl)propanamide

C14H18N4O2S — CID 56844252

IUPAC3-(ethylcarbamoylamino)-N-(2-methyl-1,3-benzothiazol-6-yl)propanamide
SMILESCCNC(=O)NCCC(=O)Nc1ccc2nc(C)sc2c1
InChIInChI=1S/C14H18N4O2S/c1-3-15-14(20)16-7-6-13(19)18-10-4-5-11-12(8-10)21-9(2)17-11/h4-5,8H,3,6-7H2,1-2H3,(H,18,19)(H2,15,16,20)
InChIKeyFBTWWPKAGBUCIB-UHFFFAOYSA-N
MW306.39 g/mol
LogP2.25
Rot. Bonds5

About 3-(ethylcarbamoylamino)-N-(2-methyl-1,3-benzothiazol-6-yl)propanamide

3-(ethylcarbamoylamino)-N-(2-methyl-1,3-benzothiazol-6-yl)propanamide (PubChem CID 56844252) has the molecular formula C14H18N4O2S and a molecular weight of 306.39 g/mol. Its IUPAC name is 3-(ethylcarbamoylamino)-N-(2-methyl-1,3-benzothiazol-6-yl)propanamide.

Molecular Properties

Compound Name3-(ethylcarbamoylamino)-N-(2-methyl-1,3-benzothiazol-6-yl)propanamide
PubChem CID56844252
Molecular FormulaC14H18N4O2S
Molecular Weight306.39 g/mol
Exact Mass306.12
IUPAC Name3-(ethylcarbamoylamino)-N-(2-methyl-1,3-benzothiazol-6-yl)propanamide
SMILESCCNC(=O)NCCC(=O)Nc1ccc2nc(C)sc2c1
InChIInChI=1S/C14H18N4O2S/c1-3-15-14(20)16-7-6-13(19)18-10-4-5-11-12(8-10)21-9(2)17-11/h4-5,8H,3,6-7H2,1-2H3,(H,18,19)(H2,15,16,20)
InChIKeyFBTWWPKAGBUCIB-UHFFFAOYSA-N
XLogP2.25
TPSA83.12 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.39
LogP ≤ 52.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(ethylcarbamoylamino)-N-(2-methyl-1,3-benzothiazol-6-yl)propanamide?
The IUPAC name of 3-(ethylcarbamoylamino)-N-(2-methyl-1,3-benzothiazol-6-yl)propanamide (CID 56844252) is 3-(ethylcarbamoylamino)-N-(2-methyl-1,3-benzothiazol-6-yl)propanamide.
What is the SMILES notation for 3-(ethylcarbamoylamino)-N-(2-methyl-1,3-benzothiazol-6-yl)propanamide?
The canonical SMILES for 3-(ethylcarbamoylamino)-N-(2-methyl-1,3-benzothiazol-6-yl)propanamide is CCNC(=O)NCCC(=O)Nc1ccc2nc(C)sc2c1.
What is the InChIKey of 3-(ethylcarbamoylamino)-N-(2-methyl-1,3-benzothiazol-6-yl)propanamide?
The InChIKey is FBTWWPKAGBUCIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O2S/c1-3-15-14(20)16-7-6-13(19)18-10-4-5-11-12(8-10)21-9(2)17-11/h4-5,8H,3,6-7H2,1-2H3,(H,18,19)(H2,15,16,20).
What are the key properties of 3-(ethylcarbamoylamino)-N-(2-methyl-1,3-benzothiazol-6-yl)propanamide?
3-(ethylcarbamoylamino)-N-(2-methyl-1,3-benzothiazol-6-yl)propanamide has a molecular weight of 306.39 g/mol, XLogP of 2.25, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(ethylcarbamoylamino)-N-(2-methyl-1,3-benzothiazol-6-yl)propanamide is sourced from PubChem (CID 56844252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).