(2-cyclopropyl-4H-pyrrolo[2,3-d][1,3]thiazol-5-yl)methanediol

C9H10N2O2S — CID 167209630

IUPAC(2-cyclopropyl-4H-pyrrolo[2,3-d][1,3]thiazol-5-yl)methanediol
SMILESOC(O)c1cc2sc(C3CC3)nc2[nH]1
InChIInChI=1S/C9H10N2O2S/c12-9(13)5-3-6-7(10-5)11-8(14-6)4-1-2-4/h3-4,9-10,12-13H,1-2H2
InChIKeyCLJMRHVKRSQFIC-UHFFFAOYSA-N
MW210.26 g/mol
LogP1.49
Rot. Bonds2

About (2-cyclopropyl-4H-pyrrolo[2,3-d][1,3]thiazol-5-yl)methanediol

(2-cyclopropyl-4H-pyrrolo[2,3-d][1,3]thiazol-5-yl)methanediol (PubChem CID 167209630) has the molecular formula C9H10N2O2S and a molecular weight of 210.26 g/mol. Its IUPAC name is (2-cyclopropyl-4H-pyrrolo[2,3-d][1,3]thiazol-5-yl)methanediol.

Molecular Properties

Compound Name(2-cyclopropyl-4H-pyrrolo[2,3-d][1,3]thiazol-5-yl)methanediol
PubChem CID167209630
Molecular FormulaC9H10N2O2S
Molecular Weight210.26 g/mol
Exact Mass210.05
IUPAC Name(2-cyclopropyl-4H-pyrrolo[2,3-d][1,3]thiazol-5-yl)methanediol
SMILESOC(O)c1cc2sc(C3CC3)nc2[nH]1
InChIInChI=1S/C9H10N2O2S/c12-9(13)5-3-6-7(10-5)11-8(14-6)4-1-2-4/h3-4,9-10,12-13H,1-2H2
InChIKeyCLJMRHVKRSQFIC-UHFFFAOYSA-N
XLogP1.49
TPSA69.14 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.26
LogP ≤ 51.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

2-cyclopropyl-N-(5,5-dimethylcyclooctyl)-4H-pyrrolo[2,3-d][1,3]thiazole-5-carboxamide
CID 175268698
2-cyclopropyl-6-ethenyl-[1,3]thiazolo[4,5-b]pyridine
CID 138718793
2-cyclopropyl-5-piperidin-4-yl-1,3-benzothiazole
CID 117399909
2-amino-2-(2-cyclopropyl-1,3-benzothiazol-4-yl)acetic acid
CID 117373678
methyl 2-cyclopropyl-[1,3]thiazolo[4,5-b]pyridine-5-carboxylate
CID 118644349
2-cyclopropyl-[1,3]thiazolo[4,5-d]pyrimidine
CID 141192936
2-cyclodecyl-5-cyclooctylthieno[2,3-d][1,3]thiazole
CID 166923022
2-cyclopropyl-4-methoxy-1,3-benzothiazole
CID 18356996
2-(2-cyclopropyl-1,3-benzothiazol-5-yl)propan-1-amine
CID 84696103
[4-(6-fluoro-1,3-benzothiazol-2-yl)cyclohexyl]methanamine
CID 79525945
N-(2-cyclopropyl-1,3-benzothiazol-6-yl)-1,3-thiazolidine-4-carboxamide
CID 119306490
4-(1,3-benzothiazol-2-yl)-N-(4-fluorophenyl)piperidine-1-carbothioamide
CID 1430435

Frequently Asked Questions

What is the IUPAC name of (2-cyclopropyl-4H-pyrrolo[2,3-d][1,3]thiazol-5-yl)methanediol?
The IUPAC name of (2-cyclopropyl-4H-pyrrolo[2,3-d][1,3]thiazol-5-yl)methanediol (CID 167209630) is (2-cyclopropyl-4H-pyrrolo[2,3-d][1,3]thiazol-5-yl)methanediol.
What is the SMILES notation for (2-cyclopropyl-4H-pyrrolo[2,3-d][1,3]thiazol-5-yl)methanediol?
The canonical SMILES for (2-cyclopropyl-4H-pyrrolo[2,3-d][1,3]thiazol-5-yl)methanediol is OC(O)c1cc2sc(C3CC3)nc2[nH]1.
What is the InChIKey of (2-cyclopropyl-4H-pyrrolo[2,3-d][1,3]thiazol-5-yl)methanediol?
The InChIKey is CLJMRHVKRSQFIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2O2S/c12-9(13)5-3-6-7(10-5)11-8(14-6)4-1-2-4/h3-4,9-10,12-13H,1-2H2.
What are the key properties of (2-cyclopropyl-4H-pyrrolo[2,3-d][1,3]thiazol-5-yl)methanediol?
(2-cyclopropyl-4H-pyrrolo[2,3-d][1,3]thiazol-5-yl)methanediol has a molecular weight of 210.26 g/mol, XLogP of 1.49, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-cyclopropyl-4H-pyrrolo[2,3-d][1,3]thiazol-5-yl)methanediol is sourced from PubChem (CID 167209630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).