2-(4,5-dihydro-1,3-thiazol-2-ylamino)-N-propylpropanamide

C9H17N3OS — CID 61477992

IUPAC2-(4,5-dihydro-1,3-thiazol-2-ylamino)-N-propylpropanamide
SMILESCCCNC(=O)C(C)NC1=NCCS1
InChIInChI=1S/C9H17N3OS/c1-3-4-10-8(13)7(2)12-9-11-5-6-14-9/h7H,3-6H2,1-2H3,(H,10,13)(H,11,12)
InChIKeyPZKVYJYJUJLJLR-UHFFFAOYSA-N
MW215.32 g/mol
LogP0.59
Rot. Bonds4

About 2-(4,5-dihydro-1,3-thiazol-2-ylamino)-N-propylpropanamide

2-(4,5-dihydro-1,3-thiazol-2-ylamino)-N-propylpropanamide (PubChem CID 61477992) has the molecular formula C9H17N3OS and a molecular weight of 215.32 g/mol. Its IUPAC name is 2-(4,5-dihydro-1,3-thiazol-2-ylamino)-N-propylpropanamide.

Molecular Properties

Compound Name2-(4,5-dihydro-1,3-thiazol-2-ylamino)-N-propylpropanamide
PubChem CID61477992
Molecular FormulaC9H17N3OS
Molecular Weight215.32 g/mol
Exact Mass215.11
IUPAC Name2-(4,5-dihydro-1,3-thiazol-2-ylamino)-N-propylpropanamide
SMILESCCCNC(=O)C(C)NC1=NCCS1
InChIInChI=1S/C9H17N3OS/c1-3-4-10-8(13)7(2)12-9-11-5-6-14-9/h7H,3-6H2,1-2H3,(H,10,13)(H,11,12)
InChIKeyPZKVYJYJUJLJLR-UHFFFAOYSA-N
XLogP0.59
TPSA53.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.32
LogP ≤ 50.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4,5-dihydro-1,3-thiazol-2-ylamino)-N-propylpropanamide?
The IUPAC name of 2-(4,5-dihydro-1,3-thiazol-2-ylamino)-N-propylpropanamide (CID 61477992) is 2-(4,5-dihydro-1,3-thiazol-2-ylamino)-N-propylpropanamide.
What is the SMILES notation for 2-(4,5-dihydro-1,3-thiazol-2-ylamino)-N-propylpropanamide?
The canonical SMILES for 2-(4,5-dihydro-1,3-thiazol-2-ylamino)-N-propylpropanamide is CCCNC(=O)C(C)NC1=NCCS1.
What is the InChIKey of 2-(4,5-dihydro-1,3-thiazol-2-ylamino)-N-propylpropanamide?
The InChIKey is PZKVYJYJUJLJLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3OS/c1-3-4-10-8(13)7(2)12-9-11-5-6-14-9/h7H,3-6H2,1-2H3,(H,10,13)(H,11,12).
What are the key properties of 2-(4,5-dihydro-1,3-thiazol-2-ylamino)-N-propylpropanamide?
2-(4,5-dihydro-1,3-thiazol-2-ylamino)-N-propylpropanamide has a molecular weight of 215.32 g/mol, XLogP of 0.59, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,5-dihydro-1,3-thiazol-2-ylamino)-N-propylpropanamide is sourced from PubChem (CID 61477992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).