4-[6-[2-(hydroxymethyl)-4-methyl-1,3-thiazol-5-yl]-2-pyridinyl]-1H-pyrrole-2-carboxylic acid

C15H13N3O3S — CID 162757080

IUPAC4-[6-[2-(hydroxymethyl)-4-methyl-1,3-thiazol-5-yl]-2-pyridinyl]-1H-pyrrole-2-carboxylic acid
SMILESCc1nc(CO)sc1-c1cccc(-c2c[nH]c(C(=O)O)c2)n1
InChIInChI=1S/C15H13N3O3S/c1-8-14(22-13(7-19)17-8)11-4-2-3-10(18-11)9-5-12(15(20)21)16-6-9/h2-6,16,19H,7H2,1H3,(H,20,21)
InChIKeyCDWSFMOTZLJLRS-UHFFFAOYSA-N
MW315.35 g/mol
LogP2.70
Rot. Bonds4

About 4-[6-[2-(hydroxymethyl)-4-methyl-1,3-thiazol-5-yl]-2-pyridinyl]-1H-pyrrole-2-carboxylic acid

4-[6-[2-(hydroxymethyl)-4-methyl-1,3-thiazol-5-yl]-2-pyridinyl]-1H-pyrrole-2-carboxylic acid (PubChem CID 162757080) has the molecular formula C15H13N3O3S and a molecular weight of 315.35 g/mol. Its IUPAC name is 4-[6-[2-(hydroxymethyl)-4-methyl-1,3-thiazol-5-yl]-2-pyridinyl]-1H-pyrrole-2-carboxylic acid.

Molecular Properties

Compound Name4-[6-[2-(hydroxymethyl)-4-methyl-1,3-thiazol-5-yl]-2-pyridinyl]-1H-pyrrole-2-carboxylic acid
PubChem CID162757080
Molecular FormulaC15H13N3O3S
Molecular Weight315.35 g/mol
Exact Mass315.07
IUPAC Name4-[6-[2-(hydroxymethyl)-4-methyl-1,3-thiazol-5-yl]-2-pyridinyl]-1H-pyrrole-2-carboxylic acid
SMILESCc1nc(CO)sc1-c1cccc(-c2c[nH]c(C(=O)O)c2)n1
InChIInChI=1S/C15H13N3O3S/c1-8-14(22-13(7-19)17-8)11-4-2-3-10(18-11)9-5-12(15(20)21)16-6-9/h2-6,16,19H,7H2,1H3,(H,20,21)
InChIKeyCDWSFMOTZLJLRS-UHFFFAOYSA-N
XLogP2.70
TPSA99.10 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.35
LogP ≤ 52.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4-(2-methyl-1,3-thiazol-4-yl)-1H-pyrrole-2-carboxylic Acid
CID 7131217
6-methyl-3-pyridin-3-yl-4H-thieno[3,2-b]pyrrole-5-carboxylic acid
CID 66561793
N-[(1S)-2-amino-1-[4-(hydroxymethyl)-1,3-thiazol-2-yl]-2-methylpropyl]-5-[5-(trifluoromethyl)-2-pyridinyl]-1H-pyrrole-2-carboxamide
CID 155511493
N-[(1R)-2-amino-1-[4-(hydroxymethyl)-1,3-thiazol-2-yl]ethyl]-3-methyl-5-[5-(trifluoromethyl)-2-pyridinyl]-1H-pyrrole-2-carboxamide
CID 155526478
6-(2-(7-Phenylheptanoyl)thiazol-5-yl)-picolinic Acid
CID 24950523
N-[2-amino-1-[4-(hydroxymethyl)thiazol-2-yl]-1-methyl-ethyl]-5-[5-(trifluoromethyl)-2-pyridyl]-1H-pyrrole-2-carboxamide
CID 155516357
N-[2-amino-1-[4-(hydroxymethyl)thiazol-2-yl]-1-methyl-ethyl]-3-methyl-5-[5-(trifluoromethyl)-2-pyridyl]-1H-pyrrole-2-carboxamide
CID 155523288
N-[(1R)-2-amino-1-[4-(hydroxymethyl)-1,3-thiazol-2-yl]ethyl]-5-(5-methyl-2-pyridinyl)-1H-pyrrole-2-carboxamide
CID 155524424
N-[(1S)-2-amino-1-[4-(hydroxymethyl)-1,3-thiazol-2-yl]ethyl]-3-methyl-5-[5-(trifluoromethyl)-2-pyridinyl]-1H-pyrrole-2-carboxamide
CID 155529664
N-[(1R)-2-amino-1-[4-(hydroxymethyl)-1,3-thiazol-2-yl]-2-methylpropyl]-5-[5-(trifluoromethyl)-2-pyridinyl]-1H-pyrrole-2-carboxamide
CID 155544501
N-[(1R)-2-amino-1-[4,5-bis(hydroxymethyl)-1,3-thiazol-2-yl]ethyl]-5-[5-(trifluoromethyl)-2-pyridinyl]-1H-pyrrole-2-carboxamide
CID 155562592
N-[2-amino-1-[4-(hydroxymethyl)thiazol-2-yl]-2-methyl-propyl]-5-[5-(trifluoromethyl)-2-pyridyl]-1H-pyrrole-2-carboxamide
CID 155924183

Frequently Asked Questions

What is the IUPAC name of 4-[6-[2-(hydroxymethyl)-4-methyl-1,3-thiazol-5-yl]-2-pyridinyl]-1H-pyrrole-2-carboxylic acid?
The IUPAC name of 4-[6-[2-(hydroxymethyl)-4-methyl-1,3-thiazol-5-yl]-2-pyridinyl]-1H-pyrrole-2-carboxylic acid (CID 162757080) is 4-[6-[2-(hydroxymethyl)-4-methyl-1,3-thiazol-5-yl]-2-pyridinyl]-1H-pyrrole-2-carboxylic acid.
What is the SMILES notation for 4-[6-[2-(hydroxymethyl)-4-methyl-1,3-thiazol-5-yl]-2-pyridinyl]-1H-pyrrole-2-carboxylic acid?
The canonical SMILES for 4-[6-[2-(hydroxymethyl)-4-methyl-1,3-thiazol-5-yl]-2-pyridinyl]-1H-pyrrole-2-carboxylic acid is Cc1nc(CO)sc1-c1cccc(-c2c[nH]c(C(=O)O)c2)n1.
What is the InChIKey of 4-[6-[2-(hydroxymethyl)-4-methyl-1,3-thiazol-5-yl]-2-pyridinyl]-1H-pyrrole-2-carboxylic acid?
The InChIKey is CDWSFMOTZLJLRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O3S/c1-8-14(22-13(7-19)17-8)11-4-2-3-10(18-11)9-5-12(15(20)21)16-6-9/h2-6,16,19H,7H2,1H3,(H,20,21).
What are the key properties of 4-[6-[2-(hydroxymethyl)-4-methyl-1,3-thiazol-5-yl]-2-pyridinyl]-1H-pyrrole-2-carboxylic acid?
4-[6-[2-(hydroxymethyl)-4-methyl-1,3-thiazol-5-yl]-2-pyridinyl]-1H-pyrrole-2-carboxylic acid has a molecular weight of 315.35 g/mol, XLogP of 2.70, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-[2-(hydroxymethyl)-4-methyl-1,3-thiazol-5-yl]-2-pyridinyl]-1H-pyrrole-2-carboxylic acid is sourced from PubChem (CID 162757080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).