5-pyrrolo[1,2-c]pyrimidin-5-yl-1,3-thiazole-4-carboxylic acid

C11H7N3O2S — CID 82385225

IUPAC5-pyrrolo[1,2-c]pyrimidin-5-yl-1,3-thiazole-4-carboxylic acid
SMILESO=C(O)c1ncsc1-c1ccn2cnccc12
InChIInChI=1S/C11H7N3O2S/c15-11(16)9-10(17-6-13-9)7-2-4-14-5-12-3-1-8(7)14/h1-6H,(H,15,16)
InChIKeyKFTYSWNYSZPIEF-UHFFFAOYSA-N
MW245.26 g/mol
LogP2.16
Rot. Bonds2

About 5-pyrrolo[1,2-c]pyrimidin-5-yl-1,3-thiazole-4-carboxylic acid

5-pyrrolo[1,2-c]pyrimidin-5-yl-1,3-thiazole-4-carboxylic acid (PubChem CID 82385225) has the molecular formula C11H7N3O2S and a molecular weight of 245.26 g/mol. Its IUPAC name is 5-pyrrolo[1,2-c]pyrimidin-5-yl-1,3-thiazole-4-carboxylic acid.

Molecular Properties

Compound Name5-pyrrolo[1,2-c]pyrimidin-5-yl-1,3-thiazole-4-carboxylic acid
PubChem CID82385225
Molecular FormulaC11H7N3O2S
Molecular Weight245.26 g/mol
Exact Mass245.03
IUPAC Name5-pyrrolo[1,2-c]pyrimidin-5-yl-1,3-thiazole-4-carboxylic acid
SMILESO=C(O)c1ncsc1-c1ccn2cnccc12
InChIInChI=1S/C11H7N3O2S/c15-11(16)9-10(17-6-13-9)7-2-4-14-5-12-3-1-8(7)14/h1-6H,(H,15,16)
InChIKeyKFTYSWNYSZPIEF-UHFFFAOYSA-N
XLogP2.16
TPSA67.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.26
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-(2-chloro-3-pyridinyl)-1,3-thiazole-4-carboxylic acid
CID 53271819
pyrrolo[1,2-c]pyrimidine-5-carboxamide
CID 175985440
5-(4-cyanophenyl)-1,3-thiazole-4-carboxylic acid
CID 168950758
5-(2-methyltetrazol-5-yl)-1,3-thiazole-4-carboxylic acid
CID 164653809
5-(pyridin-4-ylmethylamino)-1,3-thiazole-4-carboxylic acid
CID 64630479
5-(2,6-dimethylphenyl)-1,3-thiazole-4-carboxylic acid
CID 106510392
5-[4-(bromomethyl)phenyl]-1,3-thiazole-4-carboxylic acid
CID 57279552
3-(4-methyl-1,3-thiazol-5-yl)pyridine-4-carboxylic acid
CID 164650911
7-methoxycarbonylimidazo[1,5-a]pyridine-1-carboxylic acid
CID 83837507
5-[4-(trifluoromethoxy)phenyl]-1,3-thiazole-4-carboxylic acid
CID 106510431
5-[(1-methylimidazol-2-yl)methylamino]-1,3-thiazole-4-carboxylic acid
CID 64630500
imidazo[5,1-b][1,3]thiazole-7-carboxylic acid
CID 23449010

Frequently Asked Questions

What is the IUPAC name of 5-pyrrolo[1,2-c]pyrimidin-5-yl-1,3-thiazole-4-carboxylic acid?
The IUPAC name of 5-pyrrolo[1,2-c]pyrimidin-5-yl-1,3-thiazole-4-carboxylic acid (CID 82385225) is 5-pyrrolo[1,2-c]pyrimidin-5-yl-1,3-thiazole-4-carboxylic acid.
What is the SMILES notation for 5-pyrrolo[1,2-c]pyrimidin-5-yl-1,3-thiazole-4-carboxylic acid?
The canonical SMILES for 5-pyrrolo[1,2-c]pyrimidin-5-yl-1,3-thiazole-4-carboxylic acid is O=C(O)c1ncsc1-c1ccn2cnccc12.
What is the InChIKey of 5-pyrrolo[1,2-c]pyrimidin-5-yl-1,3-thiazole-4-carboxylic acid?
The InChIKey is KFTYSWNYSZPIEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7N3O2S/c15-11(16)9-10(17-6-13-9)7-2-4-14-5-12-3-1-8(7)14/h1-6H,(H,15,16).
What are the key properties of 5-pyrrolo[1,2-c]pyrimidin-5-yl-1,3-thiazole-4-carboxylic acid?
5-pyrrolo[1,2-c]pyrimidin-5-yl-1,3-thiazole-4-carboxylic acid has a molecular weight of 245.26 g/mol, XLogP of 2.16, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-pyrrolo[1,2-c]pyrimidin-5-yl-1,3-thiazole-4-carboxylic acid is sourced from PubChem (CID 82385225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).