3-amino-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)butanamide;hydrochloride

C10H18ClN3OS — CID 119735313

IUPAC3-amino-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)butanamide;hydrochloride
SMILESCCc1nc(NC(=O)CC(C)N)sc1C.Cl
InChIInChI=1S/C10H17N3OS.ClH/c1-4-8-7(3)15-10(12-8)13-9(14)5-6(2)11;/h6H,4-5,11H2,1-3H3,(H,12,13,14);1H
InChIKeyUWLIBDWYQDDWSA-UHFFFAOYSA-N
MW263.79 g/mol
LogP2.11
Rot. Bonds4

About 3-amino-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)butanamide;hydrochloride

3-amino-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)butanamide;hydrochloride (PubChem CID 119735313) has the molecular formula C10H18ClN3OS and a molecular weight of 263.79 g/mol. Its IUPAC name is 3-amino-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)butanamide;hydrochloride.

Molecular Properties

Compound Name3-amino-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)butanamide;hydrochloride
PubChem CID119735313
Molecular FormulaC10H18ClN3OS
Molecular Weight263.79 g/mol
Exact Mass263.09
IUPAC Name3-amino-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)butanamide;hydrochloride
SMILESCCc1nc(NC(=O)CC(C)N)sc1C.Cl
InChIInChI=1S/C10H17N3OS.ClH/c1-4-8-7(3)15-10(12-8)13-9(14)5-6(2)11;/h6H,4-5,11H2,1-3H3,(H,12,13,14);1H
InChIKeyUWLIBDWYQDDWSA-UHFFFAOYSA-N
XLogP2.11
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.79
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)butanamide;hydrochloride
CID 119295908
2-amino-N-[2-[(4-ethyl-5-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]acetamide
CID 54953528
2-amino-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-2-phenylacetamide;hydrochloride
CID 119295899
2-amino-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-2-methylpropanamide;hydrochloride
CID 119295888
propan-2-yl N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)carbamate
CID 116654722
N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-2-(1-hydroxycyclopentyl)acetamide
CID 111430638
2-amino-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-2-phenylacetamide
CID 61474639
4-amino-5-[(4-ethyl-5-methyl-1,3-thiazol-2-yl)amino]-5-oxopentanoic acid
CID 64888760
N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-2-hydroxy-2-methylpropanamide
CID 104936659
4-[(4-ethyl-5-methyl-1,3-thiazol-2-yl)amino]-2,3-dimethyl-4-oxobut-2-enoic acid
CID 76992577
2-(4-carbamothioylphenyl)-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)acetamide
CID 63591400
(2S)-2-amino-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-3-phenylpropanamide
CID 61474780

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)butanamide;hydrochloride?
The IUPAC name of 3-amino-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)butanamide;hydrochloride (CID 119735313) is 3-amino-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)butanamide;hydrochloride.
What is the SMILES notation for 3-amino-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)butanamide;hydrochloride?
The canonical SMILES for 3-amino-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)butanamide;hydrochloride is CCc1nc(NC(=O)CC(C)N)sc1C.Cl.
What is the InChIKey of 3-amino-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)butanamide;hydrochloride?
The InChIKey is UWLIBDWYQDDWSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3OS.ClH/c1-4-8-7(3)15-10(12-8)13-9(14)5-6(2)11;/h6H,4-5,11H2,1-3H3,(H,12,13,14);1H.
What are the key properties of 3-amino-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)butanamide;hydrochloride?
3-amino-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)butanamide;hydrochloride has a molecular weight of 263.79 g/mol, XLogP of 2.11, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)butanamide;hydrochloride is sourced from PubChem (CID 119735313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).