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

C16H19N3O3S — CID 119955179

IUPAC2-[butan-2-yl-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetyl]amino]acetic acid
SMILESCCC(C)N(CC(=O)O)C(=O)Cc1csc(-c2cccnc2)n1
InChIInChI=1S/C16H19N3O3S/c1-3-11(2)19(9-15(21)22)14(20)7-13-10-23-16(18-13)12-5-4-6-17-8-12/h4-6,8,10-11H,3,7,9H2,1-2H3,(H,21,22)
InChIKeyRVKIRPWBZVLTSA-UHFFFAOYSA-N
MW333.41 g/mol
LogP2.46
Rot. Bonds7

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

2-[butan-2-yl-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetyl]amino]acetic acid (PubChem CID 119955179) has the molecular formula C16H19N3O3S and a molecular weight of 333.41 g/mol. Its IUPAC name is 2-[butan-2-yl-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetyl]amino]acetic acid.

Molecular Properties

Compound Name2-[butan-2-yl-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetyl]amino]acetic acid
PubChem CID119955179
Molecular FormulaC16H19N3O3S
Molecular Weight333.41 g/mol
Exact Mass333.11
IUPAC Name2-[butan-2-yl-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetyl]amino]acetic acid
SMILESCCC(C)N(CC(=O)O)C(=O)Cc1csc(-c2cccnc2)n1
InChIInChI=1S/C16H19N3O3S/c1-3-11(2)19(9-15(21)22)14(20)7-13-10-23-16(18-13)12-5-4-6-17-8-12/h4-6,8,10-11H,3,7,9H2,1-2H3,(H,21,22)
InChIKeyRVKIRPWBZVLTSA-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-[propan-2-yl-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetyl]amino]propanoic acid
CID 119207601
2-[butan-2-yl-[2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]acetyl]amino]acetic acid
CID 119955178
3-[methyl-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetyl]amino]propanoic acid
CID 82032651
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-[1-(2-methoxyphenyl)ethyl]-N-methyl-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetamide
CID 134054605
N-methyl-N-(pyridin-2-ylmethyl)-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetamide
CID 86839960
N-methyl-N-(1-methylpiperidin-4-yl)-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetamide
CID 39080979
N-benzyl-N-(2-methoxyethyl)-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetamide
CID 99152320
3-(2-pyridin-3-yl-1,3-thiazol-4-yl)butanoic acid
CID 116889238
N,N-diethyl-4-[[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetyl]amino]butanamide
CID 60513365
1-[4-(2-methylpropyl)piperazin-1-yl]-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethanone
CID 134061266

Frequently Asked Questions

What is the IUPAC name of 2-[butan-2-yl-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetyl]amino]acetic acid?
The IUPAC name of 2-[butan-2-yl-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetyl]amino]acetic acid (CID 119955179) is 2-[butan-2-yl-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetyl]amino]acetic acid.
What is the SMILES notation for 2-[butan-2-yl-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetyl]amino]acetic acid?
The canonical SMILES for 2-[butan-2-yl-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetyl]amino]acetic acid is CCC(C)N(CC(=O)O)C(=O)Cc1csc(-c2cccnc2)n1.
What is the InChIKey of 2-[butan-2-yl-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetyl]amino]acetic acid?
The InChIKey is RVKIRPWBZVLTSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O3S/c1-3-11(2)19(9-15(21)22)14(20)7-13-10-23-16(18-13)12-5-4-6-17-8-12/h4-6,8,10-11H,3,7,9H2,1-2H3,(H,21,22).
What are the key properties of 2-[butan-2-yl-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetyl]amino]acetic acid?
2-[butan-2-yl-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetyl]amino]acetic 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 2-[butan-2-yl-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetyl]amino]acetic acid is sourced from PubChem (CID 119955179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).