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

C7H13N3OS — CID 43545734

IUPAC2-[(4-methyl-4,5-dihydro-1,3-thiazol-2-yl)amino]propanamide
SMILESCC1CSC(NC(C)C(N)=O)=N1
InChIInChI=1S/C7H13N3OS/c1-4-3-12-7(9-4)10-5(2)6(8)11/h4-5H,3H2,1-2H3,(H2,8,11)(H,9,10)
InChIKeyYTIWPLSYTZHZNS-UHFFFAOYSA-N
MW187.27 g/mol
LogP-0.06
Rot. Bonds2

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

2-[(4-methyl-4,5-dihydro-1,3-thiazol-2-yl)amino]propanamide (PubChem CID 43545734) has the molecular formula C7H13N3OS and a molecular weight of 187.27 g/mol. Its IUPAC name is 2-[(4-methyl-4,5-dihydro-1,3-thiazol-2-yl)amino]propanamide.

Molecular Properties

Compound Name2-[(4-methyl-4,5-dihydro-1,3-thiazol-2-yl)amino]propanamide
PubChem CID43545734
Molecular FormulaC7H13N3OS
Molecular Weight187.27 g/mol
Exact Mass187.08
IUPAC Name2-[(4-methyl-4,5-dihydro-1,3-thiazol-2-yl)amino]propanamide
SMILESCC1CSC(NC(C)C(N)=O)=N1
InChIInChI=1S/C7H13N3OS/c1-4-3-12-7(9-4)10-5(2)6(8)11/h4-5H,3H2,1-2H3,(H2,8,11)(H,9,10)
InChIKeyYTIWPLSYTZHZNS-UHFFFAOYSA-N
XLogP-0.06
TPSA67.48 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
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 2-[(4-methyl-4,5-dihydro-1,3-thiazol-2-yl)amino]propanamide?
The IUPAC name of 2-[(4-methyl-4,5-dihydro-1,3-thiazol-2-yl)amino]propanamide (CID 43545734) is 2-[(4-methyl-4,5-dihydro-1,3-thiazol-2-yl)amino]propanamide.
What is the SMILES notation for 2-[(4-methyl-4,5-dihydro-1,3-thiazol-2-yl)amino]propanamide?
The canonical SMILES for 2-[(4-methyl-4,5-dihydro-1,3-thiazol-2-yl)amino]propanamide is CC1CSC(NC(C)C(N)=O)=N1.
What is the InChIKey of 2-[(4-methyl-4,5-dihydro-1,3-thiazol-2-yl)amino]propanamide?
The InChIKey is YTIWPLSYTZHZNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N3OS/c1-4-3-12-7(9-4)10-5(2)6(8)11/h4-5H,3H2,1-2H3,(H2,8,11)(H,9,10).
What are the key properties of 2-[(4-methyl-4,5-dihydro-1,3-thiazol-2-yl)amino]propanamide?
2-[(4-methyl-4,5-dihydro-1,3-thiazol-2-yl)amino]propanamide has a molecular weight of 187.27 g/mol, XLogP of -0.06, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methyl-4,5-dihydro-1,3-thiazol-2-yl)amino]propanamide is sourced from PubChem (CID 43545734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).