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

C11H21N3OS — CID 61477994

IUPAC2-[(4-ethyl-4,5-dihydro-1,3-thiazol-2-yl)amino]-N-propylpropanamide
SMILESCCCNC(=O)C(C)NC1=NC(CC)CS1
InChIInChI=1S/C11H21N3OS/c1-4-6-12-10(15)8(3)13-11-14-9(5-2)7-16-11/h8-9H,4-7H2,1-3H3,(H,12,15)(H,13,14)
InChIKeyXRKOOWXZTZVYDQ-UHFFFAOYSA-N
MW243.38 g/mol
LogP1.37
Rot. Bonds5

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

2-[(4-ethyl-4,5-dihydro-1,3-thiazol-2-yl)amino]-N-propylpropanamide (PubChem CID 61477994) has the molecular formula C11H21N3OS and a molecular weight of 243.38 g/mol. Its IUPAC name is 2-[(4-ethyl-4,5-dihydro-1,3-thiazol-2-yl)amino]-N-propylpropanamide.

Molecular Properties

Compound Name2-[(4-ethyl-4,5-dihydro-1,3-thiazol-2-yl)amino]-N-propylpropanamide
PubChem CID61477994
Molecular FormulaC11H21N3OS
Molecular Weight243.38 g/mol
Exact Mass243.14
IUPAC Name2-[(4-ethyl-4,5-dihydro-1,3-thiazol-2-yl)amino]-N-propylpropanamide
SMILESCCCNC(=O)C(C)NC1=NC(CC)CS1
InChIInChI=1S/C11H21N3OS/c1-4-6-12-10(15)8(3)13-11-14-9(5-2)7-16-11/h8-9H,4-7H2,1-3H3,(H,12,15)(H,13,14)
InChIKeyXRKOOWXZTZVYDQ-UHFFFAOYSA-N
XLogP1.37
TPSA53.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.38
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(4-benzyl-4,5-dihydro-1,3-thiazol-2-yl)amino]-N-propylpropanamide
CID 63261225
4-ethyl-N-pentan-3-yl-4,5-dihydro-1,3-thiazol-2-amine
CID 43439588
N-(2-methoxyethyl)-2-[(4-propan-2-yl-4,5-dihydro-1,3-thiazol-2-yl)amino]propanamide
CID 107858115
2-[[5-(2,2-dimethylpropyl)-4,5-dihydro-1,3-thiazol-2-yl]amino]-N-propylpropanamide
CID 107154089
N-methyl-2-[(4-propan-2-yl-4,5-dihydro-1,3-thiazol-2-yl)amino]propanamide
CID 107857799
2-[(5-methyl-5,6-dihydro-4H-1,3-thiazin-2-yl)amino]-N-(2-methylpropyl)propanamide
CID 113407964
2-[(4-bromo-1,3-thiazol-2-yl)amino]-N-propylpropanamide
CID 79399138
2-(1-cyclopropylethylamino)-N-propylpropanamide
CID 43401278
4-ethyl-N-(3-ethylpentan-3-yl)-4,5-dihydro-1,3-thiazol-2-amine
CID 65038636
2-[(4-ethyl-5,6-dihydro-4H-1,3-thiazin-2-yl)amino]-3-methylbutanamide
CID 106346337
2-[(3,6-dichloro-1,2,4-triazin-5-yl)amino]-N-propylpropanamide
CID 81036335
2-[(5-methyl-2-pyridinyl)amino]-N-propylpropanamide
CID 61480003

Frequently Asked Questions

What is the IUPAC name of 2-[(4-ethyl-4,5-dihydro-1,3-thiazol-2-yl)amino]-N-propylpropanamide?
The IUPAC name of 2-[(4-ethyl-4,5-dihydro-1,3-thiazol-2-yl)amino]-N-propylpropanamide (CID 61477994) is 2-[(4-ethyl-4,5-dihydro-1,3-thiazol-2-yl)amino]-N-propylpropanamide.
What is the SMILES notation for 2-[(4-ethyl-4,5-dihydro-1,3-thiazol-2-yl)amino]-N-propylpropanamide?
The canonical SMILES for 2-[(4-ethyl-4,5-dihydro-1,3-thiazol-2-yl)amino]-N-propylpropanamide is CCCNC(=O)C(C)NC1=NC(CC)CS1.
What is the InChIKey of 2-[(4-ethyl-4,5-dihydro-1,3-thiazol-2-yl)amino]-N-propylpropanamide?
The InChIKey is XRKOOWXZTZVYDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3OS/c1-4-6-12-10(15)8(3)13-11-14-9(5-2)7-16-11/h8-9H,4-7H2,1-3H3,(H,12,15)(H,13,14).
What are the key properties of 2-[(4-ethyl-4,5-dihydro-1,3-thiazol-2-yl)amino]-N-propylpropanamide?
2-[(4-ethyl-4,5-dihydro-1,3-thiazol-2-yl)amino]-N-propylpropanamide has a molecular weight of 243.38 g/mol, XLogP of 1.37, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-ethyl-4,5-dihydro-1,3-thiazol-2-yl)amino]-N-propylpropanamide is sourced from PubChem (CID 61477994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).