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

C13H23N3OS — CID 119892961

IUPAC4-amino-N-[1-(2-ethyl-4-methyl-1,3-thiazol-5-yl)ethyl]-N-methylbutanamide
SMILESCCc1nc(C)c(C(C)N(C)C(=O)CCCN)s1
InChIInChI=1S/C13H23N3OS/c1-5-11-15-9(2)13(18-11)10(3)16(4)12(17)7-6-8-14/h10H,5-8,14H2,1-4H3
InChIKeyLBOFLHIJYHEMCL-UHFFFAOYSA-N
MW269.41 g/mol
LogP2.27
Rot. Bonds6

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

4-amino-N-[1-(2-ethyl-4-methyl-1,3-thiazol-5-yl)ethyl]-N-methylbutanamide (PubChem CID 119892961) has the molecular formula C13H23N3OS and a molecular weight of 269.41 g/mol. Its IUPAC name is 4-amino-N-[1-(2-ethyl-4-methyl-1,3-thiazol-5-yl)ethyl]-N-methylbutanamide.

Molecular Properties

Compound Name4-amino-N-[1-(2-ethyl-4-methyl-1,3-thiazol-5-yl)ethyl]-N-methylbutanamide
PubChem CID119892961
Molecular FormulaC13H23N3OS
Molecular Weight269.41 g/mol
Exact Mass269.16
IUPAC Name4-amino-N-[1-(2-ethyl-4-methyl-1,3-thiazol-5-yl)ethyl]-N-methylbutanamide
SMILESCCc1nc(C)c(C(C)N(C)C(=O)CCCN)s1
InChIInChI=1S/C13H23N3OS/c1-5-11-15-9(2)13(18-11)10(3)16(4)12(17)7-6-8-14/h10H,5-8,14H2,1-4H3
InChIKeyLBOFLHIJYHEMCL-UHFFFAOYSA-N
XLogP2.27
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.41
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-N-methyl-N-[1-(4-methyl-2-phenyl-1,3-thiazol-5-yl)ethyl]butanamide
CID 119893005
3-(2-aminophenyl)-N-[1-(2-ethyl-4-methyl-1,3-thiazol-5-yl)ethyl]-N-methylpropanamide
CID 120613336
3-amino-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-N-methylpropanamide;dihydrochloride
CID 119881817
N-[1-(2-ethyl-4-methyl-1,3-thiazol-5-yl)ethyl]-N-methyl-2-(5-methyl-1H-pyrazol-3-yl)acetamide
CID 75378545
2-amino-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-N-methylacetamide
CID 119881804
(2S,5R)-5-(aminomethyl)-N-[1-(2-ethyl-4-methyl-1,3-thiazol-5-yl)ethyl]-N-methyloxolane-2-carboxamide
CID 120801030
2-(1,2-benzoxazol-3-yl)-N-[1-(2-ethyl-4-methyl-1,3-thiazol-5-yl)ethyl]-N-methylacetamide
CID 122142226
4-amino-N-methyl-N-[1-(5-methylthiophen-2-yl)ethyl]butanamide
CID 60962681
3-amino-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-N-methylbutanamide
CID 119881810
2-amino-2-(2-ethyl-4-methyl-1,3-thiazol-5-yl)acetic acid
CID 116886647
4-amino-N-[1-(4-chlorophenyl)ethyl]-N-methylbutanamide
CID 54870716
N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-3-(4-methoxyphenyl)-N-methylpropanamide
CID 56782362

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[1-(2-ethyl-4-methyl-1,3-thiazol-5-yl)ethyl]-N-methylbutanamide?
The IUPAC name of 4-amino-N-[1-(2-ethyl-4-methyl-1,3-thiazol-5-yl)ethyl]-N-methylbutanamide (CID 119892961) is 4-amino-N-[1-(2-ethyl-4-methyl-1,3-thiazol-5-yl)ethyl]-N-methylbutanamide.
What is the SMILES notation for 4-amino-N-[1-(2-ethyl-4-methyl-1,3-thiazol-5-yl)ethyl]-N-methylbutanamide?
The canonical SMILES for 4-amino-N-[1-(2-ethyl-4-methyl-1,3-thiazol-5-yl)ethyl]-N-methylbutanamide is CCc1nc(C)c(C(C)N(C)C(=O)CCCN)s1.
What is the InChIKey of 4-amino-N-[1-(2-ethyl-4-methyl-1,3-thiazol-5-yl)ethyl]-N-methylbutanamide?
The InChIKey is LBOFLHIJYHEMCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3OS/c1-5-11-15-9(2)13(18-11)10(3)16(4)12(17)7-6-8-14/h10H,5-8,14H2,1-4H3.
What are the key properties of 4-amino-N-[1-(2-ethyl-4-methyl-1,3-thiazol-5-yl)ethyl]-N-methylbutanamide?
4-amino-N-[1-(2-ethyl-4-methyl-1,3-thiazol-5-yl)ethyl]-N-methylbutanamide has a molecular weight of 269.41 g/mol, XLogP of 2.27, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[1-(2-ethyl-4-methyl-1,3-thiazol-5-yl)ethyl]-N-methylbutanamide is sourced from PubChem (CID 119892961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).