3-[(5-cyclopropyl-4,5-dihydro-1,3-thiazol-2-yl)amino]-N-methylpropanamide

C10H17N3OS — CID 63296609

IUPAC3-[(5-cyclopropyl-4,5-dihydro-1,3-thiazol-2-yl)amino]-N-methylpropanamide
SMILESCNC(=O)CCNC1=NCC(C2CC2)S1
InChIInChI=1S/C10H17N3OS/c1-11-9(14)4-5-12-10-13-6-8(15-10)7-2-3-7/h7-8H,2-6H2,1H3,(H,11,14)(H,12,13)
InChIKeyYTVOZUAFYPBHKJ-UHFFFAOYSA-N
MW227.33 g/mol
LogP0.59
Rot. Bonds4

About 3-[(5-cyclopropyl-4,5-dihydro-1,3-thiazol-2-yl)amino]-N-methylpropanamide

3-[(5-cyclopropyl-4,5-dihydro-1,3-thiazol-2-yl)amino]-N-methylpropanamide (PubChem CID 63296609) has the molecular formula C10H17N3OS and a molecular weight of 227.33 g/mol. Its IUPAC name is 3-[(5-cyclopropyl-4,5-dihydro-1,3-thiazol-2-yl)amino]-N-methylpropanamide.

Molecular Properties

Compound Name3-[(5-cyclopropyl-4,5-dihydro-1,3-thiazol-2-yl)amino]-N-methylpropanamide
PubChem CID63296609
Molecular FormulaC10H17N3OS
Molecular Weight227.33 g/mol
Exact Mass227.11
IUPAC Name3-[(5-cyclopropyl-4,5-dihydro-1,3-thiazol-2-yl)amino]-N-methylpropanamide
SMILESCNC(=O)CCNC1=NCC(C2CC2)S1
InChIInChI=1S/C10H17N3OS/c1-11-9(14)4-5-12-10-13-6-8(15-10)7-2-3-7/h7-8H,2-6H2,1H3,(H,11,14)(H,12,13)
InChIKeyYTVOZUAFYPBHKJ-UHFFFAOYSA-N
XLogP0.59
TPSA53.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.33
LogP ≤ 50.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[(5-cyclopropyl-4,5-dihydro-1,3-thiazol-2-yl)amino]-N-methylpropanamide?
The IUPAC name of 3-[(5-cyclopropyl-4,5-dihydro-1,3-thiazol-2-yl)amino]-N-methylpropanamide (CID 63296609) is 3-[(5-cyclopropyl-4,5-dihydro-1,3-thiazol-2-yl)amino]-N-methylpropanamide.
What is the SMILES notation for 3-[(5-cyclopropyl-4,5-dihydro-1,3-thiazol-2-yl)amino]-N-methylpropanamide?
The canonical SMILES for 3-[(5-cyclopropyl-4,5-dihydro-1,3-thiazol-2-yl)amino]-N-methylpropanamide is CNC(=O)CCNC1=NCC(C2CC2)S1.
What is the InChIKey of 3-[(5-cyclopropyl-4,5-dihydro-1,3-thiazol-2-yl)amino]-N-methylpropanamide?
The InChIKey is YTVOZUAFYPBHKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3OS/c1-11-9(14)4-5-12-10-13-6-8(15-10)7-2-3-7/h7-8H,2-6H2,1H3,(H,11,14)(H,12,13).
What are the key properties of 3-[(5-cyclopropyl-4,5-dihydro-1,3-thiazol-2-yl)amino]-N-methylpropanamide?
3-[(5-cyclopropyl-4,5-dihydro-1,3-thiazol-2-yl)amino]-N-methylpropanamide has a molecular weight of 227.33 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 3-[(5-cyclopropyl-4,5-dihydro-1,3-thiazol-2-yl)amino]-N-methylpropanamide is sourced from PubChem (CID 63296609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).