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

C12H14N4O2S — CID 47116597

IUPAC3-(carbamoylamino)-N-(2-methyl-1,3-benzothiazol-6-yl)propanamide
SMILESCc1nc2ccc(NC(=O)CCNC(N)=O)cc2s1
InChIInChI=1S/C12H14N4O2S/c1-7-15-9-3-2-8(6-10(9)19-7)16-11(17)4-5-14-12(13)18/h2-3,6H,4-5H2,1H3,(H,16,17)(H3,13,14,18)
InChIKeyOVXHZNUBLPBIEB-UHFFFAOYSA-N
MW278.34 g/mol
LogP1.60
Rot. Bonds4

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

3-(carbamoylamino)-N-(2-methyl-1,3-benzothiazol-6-yl)propanamide (PubChem CID 47116597) has the molecular formula C12H14N4O2S and a molecular weight of 278.34 g/mol. Its IUPAC name is 3-(carbamoylamino)-N-(2-methyl-1,3-benzothiazol-6-yl)propanamide.

Molecular Properties

Compound Name3-(carbamoylamino)-N-(2-methyl-1,3-benzothiazol-6-yl)propanamide
PubChem CID47116597
Molecular FormulaC12H14N4O2S
Molecular Weight278.34 g/mol
Exact Mass278.08
IUPAC Name3-(carbamoylamino)-N-(2-methyl-1,3-benzothiazol-6-yl)propanamide
SMILESCc1nc2ccc(NC(=O)CCNC(N)=O)cc2s1
InChIInChI=1S/C12H14N4O2S/c1-7-15-9-3-2-8(6-10(9)19-7)16-11(17)4-5-14-12(13)18/h2-3,6H,4-5H2,1H3,(H,16,17)(H3,13,14,18)
InChIKeyOVXHZNUBLPBIEB-UHFFFAOYSA-N
XLogP1.60
TPSA97.11 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.34
LogP ≤ 51.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 3-(carbamoylamino)-N-(2-methyl-1,3-benzothiazol-6-yl)propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(carbamoylamino)-N-(2-methyl-1,3-benzothiazol-6-yl)propanamide?
The IUPAC name of 3-(carbamoylamino)-N-(2-methyl-1,3-benzothiazol-6-yl)propanamide (CID 47116597) is 3-(carbamoylamino)-N-(2-methyl-1,3-benzothiazol-6-yl)propanamide.
What is the SMILES notation for 3-(carbamoylamino)-N-(2-methyl-1,3-benzothiazol-6-yl)propanamide?
The canonical SMILES for 3-(carbamoylamino)-N-(2-methyl-1,3-benzothiazol-6-yl)propanamide is Cc1nc2ccc(NC(=O)CCNC(N)=O)cc2s1.
What is the InChIKey of 3-(carbamoylamino)-N-(2-methyl-1,3-benzothiazol-6-yl)propanamide?
The InChIKey is OVXHZNUBLPBIEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O2S/c1-7-15-9-3-2-8(6-10(9)19-7)16-11(17)4-5-14-12(13)18/h2-3,6H,4-5H2,1H3,(H,16,17)(H3,13,14,18).
What are the key properties of 3-(carbamoylamino)-N-(2-methyl-1,3-benzothiazol-6-yl)propanamide?
3-(carbamoylamino)-N-(2-methyl-1,3-benzothiazol-6-yl)propanamide has a molecular weight of 278.34 g/mol, XLogP of 1.60, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(carbamoylamino)-N-(2-methyl-1,3-benzothiazol-6-yl)propanamide is sourced from PubChem (CID 47116597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).