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

C13H25N3OS — CID 107154868

IUPACN-ethyl-N-methyl-2-[[5-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-yl]amino]propanamide
SMILESCCN(C)C(=O)C(C)NC1=NCC(CC(C)C)S1
InChIInChI=1S/C13H25N3OS/c1-6-16(5)12(17)10(4)15-13-14-8-11(18-13)7-9(2)3/h9-11H,6-8H2,1-5H3,(H,14,15)
InChIKeyMNBKUEIKVUMYET-UHFFFAOYSA-N
MW271.43 g/mol
LogP1.96
Rot. Bonds5

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

N-ethyl-N-methyl-2-[[5-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-yl]amino]propanamide (PubChem CID 107154868) has the molecular formula C13H25N3OS and a molecular weight of 271.43 g/mol. Its IUPAC name is N-ethyl-N-methyl-2-[[5-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-yl]amino]propanamide.

Molecular Properties

Compound NameN-ethyl-N-methyl-2-[[5-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-yl]amino]propanamide
PubChem CID107154868
Molecular FormulaC13H25N3OS
Molecular Weight271.43 g/mol
Exact Mass271.17
IUPAC NameN-ethyl-N-methyl-2-[[5-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-yl]amino]propanamide
SMILESCCN(C)C(=O)C(C)NC1=NCC(CC(C)C)S1
InChIInChI=1S/C13H25N3OS/c1-6-16(5)12(17)10(4)15-13-14-8-11(18-13)7-9(2)3/h9-11H,6-8H2,1-5H3,(H,14,15)
InChIKeyMNBKUEIKVUMYET-UHFFFAOYSA-N
XLogP1.96
TPSA44.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.43
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(2-methylpropyl)-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-4,5-dihydro-1,3-thiazol-2-amine
CID 107154265
N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-5-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-amine
CID 107154688
5-(2-methylpropyl)-N-(1-oxothian-4-yl)-4,5-dihydro-1,3-thiazol-2-amine
CID 107154781
N-ethyl-N-methyl-2-[(6-methylpyridazin-3-yl)amino]propanamide
CID 103111706
2-[(3-amino-1,2-thiazol-5-yl)amino]-N-ethyl-N-methylpropanamide
CID 103365954
1-methyl-3-[[5-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-yl]amino]pyrrolidin-2-one
CID 106252132
2-[(3-amino-4-methyl-1,2-thiazol-5-yl)amino]-N-ethyl-N-methylpropanamide
CID 103365951
5-(2-methylpropyl)-N-(3,4,5-trifluorophenyl)-4,5-dihydro-1,3-thiazol-2-amine
CID 107154331
2-[(5-amino-1,3-thiazol-2-yl)amino]-N-ethyl-N-methylpropanamide
CID 103106716
N-methyl-2-[(5-pentan-3-yl-4,5-dihydro-1,3-thiazol-2-yl)amino]propanamide
CID 106285002
N-ethyl-N-methyl-2-(propan-2-ylamino)propanamide
CID 103107904
N-(2-fluorophenyl)-5-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-amine
CID 107153859

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-methyl-2-[[5-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-yl]amino]propanamide?
The IUPAC name of N-ethyl-N-methyl-2-[[5-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-yl]amino]propanamide (CID 107154868) is N-ethyl-N-methyl-2-[[5-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-yl]amino]propanamide.
What is the SMILES notation for N-ethyl-N-methyl-2-[[5-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-yl]amino]propanamide?
The canonical SMILES for N-ethyl-N-methyl-2-[[5-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-yl]amino]propanamide is CCN(C)C(=O)C(C)NC1=NCC(CC(C)C)S1.
What is the InChIKey of N-ethyl-N-methyl-2-[[5-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-yl]amino]propanamide?
The InChIKey is MNBKUEIKVUMYET-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3OS/c1-6-16(5)12(17)10(4)15-13-14-8-11(18-13)7-9(2)3/h9-11H,6-8H2,1-5H3,(H,14,15).
What are the key properties of N-ethyl-N-methyl-2-[[5-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-yl]amino]propanamide?
N-ethyl-N-methyl-2-[[5-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-yl]amino]propanamide has a molecular weight of 271.43 g/mol, XLogP of 1.96, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-methyl-2-[[5-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-yl]amino]propanamide is sourced from PubChem (CID 107154868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).