3-[propan-2-yl-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetyl]amino]propanoic acid

C16H19N3O3S — CID 119207601

IUPAC3-[propan-2-yl-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetyl]amino]propanoic acid
SMILESCC(C)N(CCC(=O)O)C(=O)Cc1csc(-c2cccnc2)n1
InChIInChI=1S/C16H19N3O3S/c1-11(2)19(7-5-15(21)22)14(20)8-13-10-23-16(18-13)12-4-3-6-17-9-12/h3-4,6,9-11H,5,7-8H2,1-2H3,(H,21,22)
InChIKeyWEHCVBRIDJTABJ-UHFFFAOYSA-N
MW333.41 g/mol
LogP2.46
Rot. Bonds7

About 3-[propan-2-yl-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetyl]amino]propanoic acid

3-[propan-2-yl-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetyl]amino]propanoic acid (PubChem CID 119207601) has the molecular formula C16H19N3O3S and a molecular weight of 333.41 g/mol. Its IUPAC name is 3-[propan-2-yl-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetyl]amino]propanoic acid.

Molecular Properties

Compound Name3-[propan-2-yl-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetyl]amino]propanoic acid
PubChem CID119207601
Molecular FormulaC16H19N3O3S
Molecular Weight333.41 g/mol
Exact Mass333.11
IUPAC Name3-[propan-2-yl-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetyl]amino]propanoic acid
SMILESCC(C)N(CCC(=O)O)C(=O)Cc1csc(-c2cccnc2)n1
InChIInChI=1S/C16H19N3O3S/c1-11(2)19(7-5-15(21)22)14(20)8-13-10-23-16(18-13)12-4-3-6-17-9-12/h3-4,6,9-11H,5,7-8H2,1-2H3,(H,21,22)
InChIKeyWEHCVBRIDJTABJ-UHFFFAOYSA-N
XLogP2.46
TPSA83.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.41
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[methyl-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetyl]amino]propanoic acid
CID 82032651
2-[butan-2-yl-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetyl]amino]acetic acid
CID 119955179
3-[[2-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]acetyl]-propan-2-ylamino]propanoic acid
CID 119206740
3-[[2-[2-(1,3-benzodioxol-5-yl)-1,3-thiazol-4-yl]acetyl]-propan-2-ylamino]propanoic acid
CID 119207121
3-[[2-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]acetyl]-propan-2-ylamino]propanoic acid
CID 119207484
3-[methyl-[2-(2-pyridin-4-yl-1,3-thiazol-4-yl)acetyl]amino]propanoic acid
CID 82032610
N-[1-(2-methoxyphenyl)ethyl]-N-methyl-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetamide
CID 134054605
3-methyl-2-[[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetyl]amino]pentanoic acid
CID 82032648
(2S,3S)-3-methyl-2-[[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetyl]amino]pentanoic acid
CID 92942450
N-benzyl-N-(2-methoxyethyl)-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetamide
CID 99152320
N-methyl-N-(pyridin-2-ylmethyl)-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetamide
CID 86839960
N,N-diethyl-4-[[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetyl]amino]butanamide
CID 60513365

Frequently Asked Questions

What is the IUPAC name of 3-[propan-2-yl-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetyl]amino]propanoic acid?
The IUPAC name of 3-[propan-2-yl-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetyl]amino]propanoic acid (CID 119207601) is 3-[propan-2-yl-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetyl]amino]propanoic acid.
What is the SMILES notation for 3-[propan-2-yl-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetyl]amino]propanoic acid?
The canonical SMILES for 3-[propan-2-yl-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetyl]amino]propanoic acid is CC(C)N(CCC(=O)O)C(=O)Cc1csc(-c2cccnc2)n1.
What is the InChIKey of 3-[propan-2-yl-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetyl]amino]propanoic acid?
The InChIKey is WEHCVBRIDJTABJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O3S/c1-11(2)19(7-5-15(21)22)14(20)8-13-10-23-16(18-13)12-4-3-6-17-9-12/h3-4,6,9-11H,5,7-8H2,1-2H3,(H,21,22).
What are the key properties of 3-[propan-2-yl-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetyl]amino]propanoic acid?
3-[propan-2-yl-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetyl]amino]propanoic acid has a molecular weight of 333.41 g/mol, XLogP of 2.46, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[propan-2-yl-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetyl]amino]propanoic acid is sourced from PubChem (CID 119207601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).