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

C12H19N3O3S — CID 82848419

IUPAC5-[(2-methyl-1,3-thiazol-5-yl)methylcarbamoylamino]hexanoic acid
SMILESCc1ncc(CNC(=O)NC(C)CCCC(=O)O)s1
InChIInChI=1S/C12H19N3O3S/c1-8(4-3-5-11(16)17)15-12(18)14-7-10-6-13-9(2)19-10/h6,8H,3-5,7H2,1-2H3,(H,16,17)(H2,14,15,18)
InChIKeyZJZKGFCGHWLSRV-UHFFFAOYSA-N
MW285.37 g/mol
LogP1.89
Rot. Bonds7

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

5-[(2-methyl-1,3-thiazol-5-yl)methylcarbamoylamino]hexanoic acid (PubChem CID 82848419) has the molecular formula C12H19N3O3S and a molecular weight of 285.37 g/mol. Its IUPAC name is 5-[(2-methyl-1,3-thiazol-5-yl)methylcarbamoylamino]hexanoic acid.

Molecular Properties

Compound Name5-[(2-methyl-1,3-thiazol-5-yl)methylcarbamoylamino]hexanoic acid
PubChem CID82848419
Molecular FormulaC12H19N3O3S
Molecular Weight285.37 g/mol
Exact Mass285.11
IUPAC Name5-[(2-methyl-1,3-thiazol-5-yl)methylcarbamoylamino]hexanoic acid
SMILESCc1ncc(CNC(=O)NC(C)CCCC(=O)O)s1
InChIInChI=1S/C12H19N3O3S/c1-8(4-3-5-11(16)17)15-12(18)14-7-10-6-13-9(2)19-10/h6,8H,3-5,7H2,1-2H3,(H,16,17)(H2,14,15,18)
InChIKeyZJZKGFCGHWLSRV-UHFFFAOYSA-N
XLogP1.89
TPSA91.32 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.37
LogP ≤ 51.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-[(2-methyl-1,3-thiazol-5-yl)methylcarbamoylamino]hexanedioic acid
CID 107839056
5-[(5-methyl-1,3-thiazol-2-yl)methylcarbamoylamino]hexanoic acid
CID 114128702
(2S)-3-hydroxy-2-[(2-methyl-1,3-thiazol-5-yl)methylcarbamoylamino]propanoic acid
CID 54962472
2-[(2-methyl-1,3-thiazol-5-yl)methylcarbamoylamino]butanoic acid
CID 54962423
5-(1,3-thiazol-2-ylmethylcarbamoylamino)hexanoic acid
CID 82848501
5-[(2-methylpyrazol-3-yl)methylcarbamoylamino]hexanoic acid
CID 82848263
1-[1-(2-methylphenyl)ethyl]-3-[(2-methyl-1,3-thiazol-5-yl)methyl]urea
CID 86841602
5-[(1-methylpyrazol-4-yl)methylcarbamoylamino]hexanoic acid
CID 82848999
5-(2-methyl-1,3-thiazol-5-yl)pentanoic acid
CID 21405586
2-amino-3-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]butanamide;dihydrochloride
CID 119861837
propan-2-yl N-[(2-methyl-1,3-thiazol-5-yl)methyl]carbamate
CID 116654769
5-[(4-fluorophenyl)methylcarbamoylamino]hexanoic acid
CID 82846795

Frequently Asked Questions

What is the IUPAC name of 5-[(2-methyl-1,3-thiazol-5-yl)methylcarbamoylamino]hexanoic acid?
The IUPAC name of 5-[(2-methyl-1,3-thiazol-5-yl)methylcarbamoylamino]hexanoic acid (CID 82848419) is 5-[(2-methyl-1,3-thiazol-5-yl)methylcarbamoylamino]hexanoic acid.
What is the SMILES notation for 5-[(2-methyl-1,3-thiazol-5-yl)methylcarbamoylamino]hexanoic acid?
The canonical SMILES for 5-[(2-methyl-1,3-thiazol-5-yl)methylcarbamoylamino]hexanoic acid is Cc1ncc(CNC(=O)NC(C)CCCC(=O)O)s1.
What is the InChIKey of 5-[(2-methyl-1,3-thiazol-5-yl)methylcarbamoylamino]hexanoic acid?
The InChIKey is ZJZKGFCGHWLSRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O3S/c1-8(4-3-5-11(16)17)15-12(18)14-7-10-6-13-9(2)19-10/h6,8H,3-5,7H2,1-2H3,(H,16,17)(H2,14,15,18).
What are the key properties of 5-[(2-methyl-1,3-thiazol-5-yl)methylcarbamoylamino]hexanoic acid?
5-[(2-methyl-1,3-thiazol-5-yl)methylcarbamoylamino]hexanoic acid has a molecular weight of 285.37 g/mol, XLogP of 1.89, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-methyl-1,3-thiazol-5-yl)methylcarbamoylamino]hexanoic acid is sourced from PubChem (CID 82848419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).