3-[(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)amino]propanamide

C7H13N3OS — CID 43553822

IUPAC3-[(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)amino]propanamide
SMILESCC1CN=C(NCCC(N)=O)S1
InChIInChI=1S/C7H13N3OS/c1-5-4-10-7(12-5)9-3-2-6(8)11/h5H,2-4H2,1H3,(H2,8,11)(H,9,10)
InChIKeyYYGKFNZZBJJTDL-UHFFFAOYSA-N
MW187.27 g/mol
LogP-0.06
Rot. Bonds3

About 3-[(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)amino]propanamide

3-[(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)amino]propanamide (PubChem CID 43553822) has the molecular formula C7H13N3OS and a molecular weight of 187.27 g/mol. Its IUPAC name is 3-[(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)amino]propanamide.

Molecular Properties

Compound Name3-[(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)amino]propanamide
PubChem CID43553822
Molecular FormulaC7H13N3OS
Molecular Weight187.27 g/mol
Exact Mass187.08
IUPAC Name3-[(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)amino]propanamide
SMILESCC1CN=C(NCCC(N)=O)S1
InChIInChI=1S/C7H13N3OS/c1-5-4-10-7(12-5)9-3-2-6(8)11/h5H,2-4H2,1H3,(H2,8,11)(H,9,10)
InChIKeyYYGKFNZZBJJTDL-UHFFFAOYSA-N
XLogP-0.06
TPSA67.48 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.27
LogP ≤ 5-0.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)amino]propanamide?
The IUPAC name of 3-[(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)amino]propanamide (CID 43553822) is 3-[(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)amino]propanamide.
What is the SMILES notation for 3-[(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)amino]propanamide?
The canonical SMILES for 3-[(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)amino]propanamide is CC1CN=C(NCCC(N)=O)S1.
What is the InChIKey of 3-[(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)amino]propanamide?
The InChIKey is YYGKFNZZBJJTDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N3OS/c1-5-4-10-7(12-5)9-3-2-6(8)11/h5H,2-4H2,1H3,(H2,8,11)(H,9,10).
What are the key properties of 3-[(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)amino]propanamide?
3-[(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)amino]propanamide has a molecular weight of 187.27 g/mol, XLogP of -0.06, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)amino]propanamide is sourced from PubChem (CID 43553822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).