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

C12H21N3OS — CID 63296575

IUPAC3-[(5-cyclopropyl-4,5-dihydro-1,3-thiazol-2-yl)amino]-N-propylpropanamide
SMILESCCCNC(=O)CCNC1=NCC(C2CC2)S1
InChIInChI=1S/C12H21N3OS/c1-2-6-13-11(16)5-7-14-12-15-8-10(17-12)9-3-4-9/h9-10H,2-8H2,1H3,(H,13,16)(H,14,15)
InChIKeyKOMHGTFNFDUHMC-UHFFFAOYSA-N
MW255.39 g/mol
LogP1.37
Rot. Bonds6

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

3-[(5-cyclopropyl-4,5-dihydro-1,3-thiazol-2-yl)amino]-N-propylpropanamide (PubChem CID 63296575) has the molecular formula C12H21N3OS and a molecular weight of 255.39 g/mol. Its IUPAC name is 3-[(5-cyclopropyl-4,5-dihydro-1,3-thiazol-2-yl)amino]-N-propylpropanamide.

Molecular Properties

Compound Name3-[(5-cyclopropyl-4,5-dihydro-1,3-thiazol-2-yl)amino]-N-propylpropanamide
PubChem CID63296575
Molecular FormulaC12H21N3OS
Molecular Weight255.39 g/mol
Exact Mass255.14
IUPAC Name3-[(5-cyclopropyl-4,5-dihydro-1,3-thiazol-2-yl)amino]-N-propylpropanamide
SMILESCCCNC(=O)CCNC1=NCC(C2CC2)S1
InChIInChI=1S/C12H21N3OS/c1-2-6-13-11(16)5-7-14-12-15-8-10(17-12)9-3-4-9/h9-10H,2-8H2,1H3,(H,13,16)(H,14,15)
InChIKeyKOMHGTFNFDUHMC-UHFFFAOYSA-N
XLogP1.37
TPSA53.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.39
LogP ≤ 51.37
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-propylpropanamide?
The IUPAC name of 3-[(5-cyclopropyl-4,5-dihydro-1,3-thiazol-2-yl)amino]-N-propylpropanamide (CID 63296575) is 3-[(5-cyclopropyl-4,5-dihydro-1,3-thiazol-2-yl)amino]-N-propylpropanamide.
What is the SMILES notation for 3-[(5-cyclopropyl-4,5-dihydro-1,3-thiazol-2-yl)amino]-N-propylpropanamide?
The canonical SMILES for 3-[(5-cyclopropyl-4,5-dihydro-1,3-thiazol-2-yl)amino]-N-propylpropanamide is CCCNC(=O)CCNC1=NCC(C2CC2)S1.
What is the InChIKey of 3-[(5-cyclopropyl-4,5-dihydro-1,3-thiazol-2-yl)amino]-N-propylpropanamide?
The InChIKey is KOMHGTFNFDUHMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3OS/c1-2-6-13-11(16)5-7-14-12-15-8-10(17-12)9-3-4-9/h9-10H,2-8H2,1H3,(H,13,16)(H,14,15).
What are the key properties of 3-[(5-cyclopropyl-4,5-dihydro-1,3-thiazol-2-yl)amino]-N-propylpropanamide?
3-[(5-cyclopropyl-4,5-dihydro-1,3-thiazol-2-yl)amino]-N-propylpropanamide has a molecular weight of 255.39 g/mol, XLogP of 1.37, 6 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-propylpropanamide is sourced from PubChem (CID 63296575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).