5-[(4-methyl-1,3-thiazol-2-yl)amino]hexanoic acid

C10H16N2O2S — CID 82846018

IUPAC5-[(4-methyl-1,3-thiazol-2-yl)amino]hexanoic acid
SMILESCc1csc(NC(C)CCCC(=O)O)n1
InChIInChI=1S/C10H16N2O2S/c1-7(4-3-5-9(13)14)11-10-12-8(2)6-15-10/h6-7H,3-5H2,1-2H3,(H,11,12)(H,13,14)
InChIKeyCDATYCJENOTCIV-UHFFFAOYSA-N
MW228.32 g/mol
LogP2.51
Rot. Bonds6

About 5-[(4-methyl-1,3-thiazol-2-yl)amino]hexanoic acid

5-[(4-methyl-1,3-thiazol-2-yl)amino]hexanoic acid (PubChem CID 82846018) has the molecular formula C10H16N2O2S and a molecular weight of 228.32 g/mol. Its IUPAC name is 5-[(4-methyl-1,3-thiazol-2-yl)amino]hexanoic acid.

Molecular Properties

Compound Name5-[(4-methyl-1,3-thiazol-2-yl)amino]hexanoic acid
PubChem CID82846018
Molecular FormulaC10H16N2O2S
Molecular Weight228.32 g/mol
Exact Mass228.09
IUPAC Name5-[(4-methyl-1,3-thiazol-2-yl)amino]hexanoic acid
SMILESCc1csc(NC(C)CCCC(=O)O)n1
InChIInChI=1S/C10H16N2O2S/c1-7(4-3-5-9(13)14)11-10-12-8(2)6-15-10/h6-7H,3-5H2,1-2H3,(H,11,12)(H,13,14)
InChIKeyCDATYCJENOTCIV-UHFFFAOYSA-N
XLogP2.51
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.32
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-chlorobutan-2-yl)-4-methyl-1,3-thiazol-2-amine
CID 83186786
5-(1,2,4-thiadiazol-5-ylamino)hexanoic acid
CID 82846013
2-[(4-methyl-1,3-thiazol-2-yl)amino]hexanoic acid
CID 43470226
3-[(4-methyl-1,3-thiazol-2-yl)carbamoylamino]butanoic acid
CID 61196654
5-[(4-methyl-1,3-thiazol-2-yl)carbamoylamino]-5-oxopentanoic acid
CID 28931974
(2S)-2-[(4-methyl-1,3-thiazol-2-yl)amino]butanoic acid
CID 93057158
6-[(4-bromo-1,3-thiazol-2-yl)amino]-2-methylheptanoic acid
CID 79399334
3-methyl-4-[(4-methyl-1,3-thiazol-2-yl)amino]butanoic acid
CID 81066460
4-methyl-N-propan-2-yl-1,3-thiazol-2-amine
CID 841733
N-methyl-2-[(4-methyl-1,3-thiazol-2-yl)amino]propanamide
CID 61467738
5-[(2,6-dimethylpyridine-3-carbonyl)amino]hexanoic acid
CID 82855283
3-[(4-ethyl-1,3-thiazol-2-yl)amino]butanoic acid
CID 62963347

Frequently Asked Questions

What is the IUPAC name of 5-[(4-methyl-1,3-thiazol-2-yl)amino]hexanoic acid?
The IUPAC name of 5-[(4-methyl-1,3-thiazol-2-yl)amino]hexanoic acid (CID 82846018) is 5-[(4-methyl-1,3-thiazol-2-yl)amino]hexanoic acid.
What is the SMILES notation for 5-[(4-methyl-1,3-thiazol-2-yl)amino]hexanoic acid?
The canonical SMILES for 5-[(4-methyl-1,3-thiazol-2-yl)amino]hexanoic acid is Cc1csc(NC(C)CCCC(=O)O)n1.
What is the InChIKey of 5-[(4-methyl-1,3-thiazol-2-yl)amino]hexanoic acid?
The InChIKey is CDATYCJENOTCIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O2S/c1-7(4-3-5-9(13)14)11-10-12-8(2)6-15-10/h6-7H,3-5H2,1-2H3,(H,11,12)(H,13,14).
What are the key properties of 5-[(4-methyl-1,3-thiazol-2-yl)amino]hexanoic acid?
5-[(4-methyl-1,3-thiazol-2-yl)amino]hexanoic acid has a molecular weight of 228.32 g/mol, XLogP of 2.51, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-methyl-1,3-thiazol-2-yl)amino]hexanoic acid is sourced from PubChem (CID 82846018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).