methyl 2-[2-[5-(diethylamino)pentan-2-ylamino]-1,3-thiazol-4-yl]acetate

C15H27N3O2S — CID 80574015

IUPACmethyl 2-[2-[5-(diethylamino)pentan-2-ylamino]-1,3-thiazol-4-yl]acetate
SMILESCCN(CC)CCCC(C)Nc1nc(CC(=O)OC)cs1
InChIInChI=1S/C15H27N3O2S/c1-5-18(6-2)9-7-8-12(3)16-15-17-13(11-21-15)10-14(19)20-4/h11-12H,5-10H2,1-4H3,(H,16,17)
InChIKeyOKLCQZMDRKKERL-UHFFFAOYSA-N
MW313.47 g/mol
LogP2.78
Rot. Bonds10

About methyl 2-[2-[5-(diethylamino)pentan-2-ylamino]-1,3-thiazol-4-yl]acetate

methyl 2-[2-[5-(diethylamino)pentan-2-ylamino]-1,3-thiazol-4-yl]acetate (PubChem CID 80574015) has the molecular formula C15H27N3O2S and a molecular weight of 313.47 g/mol. Its IUPAC name is methyl 2-[2-[5-(diethylamino)pentan-2-ylamino]-1,3-thiazol-4-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[2-[5-(diethylamino)pentan-2-ylamino]-1,3-thiazol-4-yl]acetate
PubChem CID80574015
Molecular FormulaC15H27N3O2S
Molecular Weight313.47 g/mol
Exact Mass313.18
IUPAC Namemethyl 2-[2-[5-(diethylamino)pentan-2-ylamino]-1,3-thiazol-4-yl]acetate
SMILESCCN(CC)CCCC(C)Nc1nc(CC(=O)OC)cs1
InChIInChI=1S/C15H27N3O2S/c1-5-18(6-2)9-7-8-12(3)16-15-17-13(11-21-15)10-14(19)20-4/h11-12H,5-10H2,1-4H3,(H,16,17)
InChIKeyOKLCQZMDRKKERL-UHFFFAOYSA-N
XLogP2.78
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.47
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-N-(4-bromo-1,3-thiazol-2-yl)-1-N,1-N-diethylpentane-1,4-diamine
CID 79400219
methyl 2-[2-(2-methylpentan-3-ylamino)-1,3-thiazol-4-yl]acetate
CID 80575087
ethyl 2-[2-[[(2R)-1-methoxypropan-2-yl]amino]-1,3-thiazol-4-yl]acetate
CID 97170705
methyl 2-[2-[1-(4-fluorophenyl)propan-2-ylamino]-1,3-thiazol-4-yl]acetate
CID 80574724
methyl 2-[2-[(1-amino-3-methyl-1-oxobutan-2-yl)amino]-1,3-thiazol-4-yl]acetate
CID 106347390
methyl 2-[2-(1-cyclopropylethylamino)-1,3-thiazol-4-yl]acetate
CID 80574502
ethyl 2-[2-(4-methylpentan-2-ylamino)-1,3-thiazol-4-yl]acetate
CID 80574798
methyl 2-[2-[[1-(dimethylamino)-4-methylpentan-2-yl]amino]-1,3-thiazol-4-yl]acetate
CID 80575239
methyl 2-[2-(diethylsulfamoylamino)-1,3-thiazol-4-yl]acetate
CID 43624505
methyl 2-[2-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]-1,3-thiazol-4-yl]acetate
CID 80574678
methyl 2-[2-(2-phenylpropylamino)-1,3-thiazol-4-yl]acetate
CID 104592481
methyl 2-[2-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethylamino]-1,3-thiazol-4-yl]acetate
CID 80576562

Frequently Asked Questions

What is the IUPAC name of methyl 2-[2-[5-(diethylamino)pentan-2-ylamino]-1,3-thiazol-4-yl]acetate?
The IUPAC name of methyl 2-[2-[5-(diethylamino)pentan-2-ylamino]-1,3-thiazol-4-yl]acetate (CID 80574015) is methyl 2-[2-[5-(diethylamino)pentan-2-ylamino]-1,3-thiazol-4-yl]acetate.
What is the SMILES notation for methyl 2-[2-[5-(diethylamino)pentan-2-ylamino]-1,3-thiazol-4-yl]acetate?
The canonical SMILES for methyl 2-[2-[5-(diethylamino)pentan-2-ylamino]-1,3-thiazol-4-yl]acetate is CCN(CC)CCCC(C)Nc1nc(CC(=O)OC)cs1.
What is the InChIKey of methyl 2-[2-[5-(diethylamino)pentan-2-ylamino]-1,3-thiazol-4-yl]acetate?
The InChIKey is OKLCQZMDRKKERL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O2S/c1-5-18(6-2)9-7-8-12(3)16-15-17-13(11-21-15)10-14(19)20-4/h11-12H,5-10H2,1-4H3,(H,16,17).
What are the key properties of methyl 2-[2-[5-(diethylamino)pentan-2-ylamino]-1,3-thiazol-4-yl]acetate?
methyl 2-[2-[5-(diethylamino)pentan-2-ylamino]-1,3-thiazol-4-yl]acetate has a molecular weight of 313.47 g/mol, XLogP of 2.78, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[2-[5-(diethylamino)pentan-2-ylamino]-1,3-thiazol-4-yl]acetate is sourced from PubChem (CID 80574015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).