2-[2-[(4-methoxypyrimidin-2-yl)amino]ethyl]-1,3-thiazole-4-carboxylic acid

C11H12N4O3S — CID 66372427

IUPAC2-[2-[(4-methoxypyrimidin-2-yl)amino]ethyl]-1,3-thiazole-4-carboxylic acid
SMILESCOc1ccnc(NCCc2nc(C(=O)O)cs2)n1
InChIInChI=1S/C11H12N4O3S/c1-18-8-2-4-12-11(15-8)13-5-3-9-14-7(6-19-9)10(16)17/h2,4,6H,3,5H2,1H3,(H,16,17)(H,12,13,15)
InChIKeyPJWZUCAUXKDPOZ-UHFFFAOYSA-N
MW280.31 g/mol
LogP1.29
Rot. Bonds6

About 2-[2-[(4-methoxypyrimidin-2-yl)amino]ethyl]-1,3-thiazole-4-carboxylic acid

2-[2-[(4-methoxypyrimidin-2-yl)amino]ethyl]-1,3-thiazole-4-carboxylic acid (PubChem CID 66372427) has the molecular formula C11H12N4O3S and a molecular weight of 280.31 g/mol. Its IUPAC name is 2-[2-[(4-methoxypyrimidin-2-yl)amino]ethyl]-1,3-thiazole-4-carboxylic acid.

Molecular Properties

Compound Name2-[2-[(4-methoxypyrimidin-2-yl)amino]ethyl]-1,3-thiazole-4-carboxylic acid
PubChem CID66372427
Molecular FormulaC11H12N4O3S
Molecular Weight280.31 g/mol
Exact Mass280.06
IUPAC Name2-[2-[(4-methoxypyrimidin-2-yl)amino]ethyl]-1,3-thiazole-4-carboxylic acid
SMILESCOc1ccnc(NCCc2nc(C(=O)O)cs2)n1
InChIInChI=1S/C11H12N4O3S/c1-18-8-2-4-12-11(15-8)13-5-3-9-14-7(6-19-9)10(16)17/h2,4,6H,3,5H2,1H3,(H,16,17)(H,12,13,15)
InChIKeyPJWZUCAUXKDPOZ-UHFFFAOYSA-N
XLogP1.29
TPSA97.23 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.31
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2-[2-[(4,6-dimethoxypyrimidin-2-yl)amino]ethyl]-1,3-thiazole-4-carboxylic acid
CID 115354779
2-[2-[(5-fluoro-4-methoxypyrimidin-2-yl)amino]ethyl]-1,3-thiazole-4-carboxylic acid
CID 137342477
2-[2-[(2-carbamoyl-4-pyridinyl)amino]ethyl]-1,3-thiazole-4-carboxylic acid
CID 66373373
N-[2-(1,3-benzothiazol-2-yl)ethyl]-4-methoxypyrimidin-2-amine
CID 78818873
N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]-4-propan-2-yloxypyrimidin-2-amine
CID 112637612
2-[2-(4-methoxyphenyl)ethyl]-1,3-thiazole-4-carboxylic acid
CID 82303210
2-[2-[(3-methyl-4-pyridinyl)amino]ethyl]-1,3-thiazole-4-carboxylic acid
CID 66372612
4-methoxy-N-[2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethyl]pyrimidin-2-amine
CID 133415324
1-[(4-methoxypyrimidin-2-yl)amino]pentan-3-ol
CID 115702045
2-[2-[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]ethyl]-1,3-thiazole-4-carboxylic acid
CID 66373952
N-ethyl-4-methoxypyrimidin-2-amine
CID 20510275
2-[2-[[3-(trifluoromethyl)-2-pyridinyl]amino]ethyl]-1,3-thiazole-4-carboxylic acid
CID 66372798

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(4-methoxypyrimidin-2-yl)amino]ethyl]-1,3-thiazole-4-carboxylic acid?
The IUPAC name of 2-[2-[(4-methoxypyrimidin-2-yl)amino]ethyl]-1,3-thiazole-4-carboxylic acid (CID 66372427) is 2-[2-[(4-methoxypyrimidin-2-yl)amino]ethyl]-1,3-thiazole-4-carboxylic acid.
What is the SMILES notation for 2-[2-[(4-methoxypyrimidin-2-yl)amino]ethyl]-1,3-thiazole-4-carboxylic acid?
The canonical SMILES for 2-[2-[(4-methoxypyrimidin-2-yl)amino]ethyl]-1,3-thiazole-4-carboxylic acid is COc1ccnc(NCCc2nc(C(=O)O)cs2)n1.
What is the InChIKey of 2-[2-[(4-methoxypyrimidin-2-yl)amino]ethyl]-1,3-thiazole-4-carboxylic acid?
The InChIKey is PJWZUCAUXKDPOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4O3S/c1-18-8-2-4-12-11(15-8)13-5-3-9-14-7(6-19-9)10(16)17/h2,4,6H,3,5H2,1H3,(H,16,17)(H,12,13,15).
What are the key properties of 2-[2-[(4-methoxypyrimidin-2-yl)amino]ethyl]-1,3-thiazole-4-carboxylic acid?
2-[2-[(4-methoxypyrimidin-2-yl)amino]ethyl]-1,3-thiazole-4-carboxylic acid has a molecular weight of 280.31 g/mol, XLogP of 1.29, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(4-methoxypyrimidin-2-yl)amino]ethyl]-1,3-thiazole-4-carboxylic acid is sourced from PubChem (CID 66372427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).