4-chloro-2-pyrrolidin-1-yl-1,3-thiazole-5-carbaldehyde

C8H9ClN2OS — CID 2763066

IUPAC4-chloro-2-pyrrolidin-1-yl-1,3-thiazole-5-carbaldehyde
SMILESO=Cc1sc(N2CCCC2)nc1Cl
InChIInChI=1S/C8H9ClN2OS/c9-7-6(5-12)13-8(10-7)11-3-1-2-4-11/h5H,1-4H2
InChIKeyRNCWKOPQPWDUBD-UHFFFAOYSA-N
MW216.69 g/mol
LogP2.21
Rot. Bonds2

About 4-chloro-2-pyrrolidin-1-yl-1,3-thiazole-5-carbaldehyde

4-chloro-2-pyrrolidin-1-yl-1,3-thiazole-5-carbaldehyde (PubChem CID 2763066) has the molecular formula C8H9ClN2OS and a molecular weight of 216.69 g/mol. Its IUPAC name is 4-chloro-2-pyrrolidin-1-yl-1,3-thiazole-5-carbaldehyde.

Molecular Properties

Compound Name4-chloro-2-pyrrolidin-1-yl-1,3-thiazole-5-carbaldehyde
PubChem CID2763066
Molecular FormulaC8H9ClN2OS
Molecular Weight216.69 g/mol
Exact Mass216.01
IUPAC Name4-chloro-2-pyrrolidin-1-yl-1,3-thiazole-5-carbaldehyde
SMILESO=Cc1sc(N2CCCC2)nc1Cl
InChIInChI=1S/C8H9ClN2OS/c9-7-6(5-12)13-8(10-7)11-3-1-2-4-11/h5H,1-4H2
InChIKeyRNCWKOPQPWDUBD-UHFFFAOYSA-N
XLogP2.21
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.69
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

4-Chloro-2-(dimethylamino)-1,3-thiazole-5-carbaldehyde
CID 9118376
4-Chloro-2-(morpholin-4-yl)-1,3-thiazole-5-carbaldehyde
CID 2763065
Ethyl 4-chloro-2-pyrrolidin-1-yl-1,3-thiazole-5-carboxylate
CID 72196368
4-Chloro-2-(pyrrolidin-1-yl)-1,3-thiazole-5-carboxylic acid
CID 45792367
4-Chloro-2-(4-methylpiperazin-1-yl)-1,3-thiazole-5-carbaldehyde
CID 2763067
4-Chloro-2-diethylamino-1,3-thiazole-5-carbaldehyde
CID 33777877
2-[Bis(2-chloroethyl)amino]-4-chloro-1,3-thiazole-5-carbaldehyde
CID 155815840
4-Chloro-2-(1-piperidino)-5-thiazolecarboxaldehyde
CID 3833873
2-(Pyrrolidin-1-yl)-4-bromo-5-formylthiazole
CID 146036086
4-Chloro-2-[methyl(2,2,2-trifluoroethyl)amino]-1,3-thiazole-5-carbaldehyde
CID 80687152
4-Chloro-2-[ethyl(2,2,2-trifluoroethyl)amino]-1,3-thiazole-5-carbaldehyde
CID 80688075
4-Chloro-2-[methyl(3,3,3-trifluoropropyl)amino]-1,3-thiazole-5-carbaldehyde
CID 80688180

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-pyrrolidin-1-yl-1,3-thiazole-5-carbaldehyde?
The IUPAC name of 4-chloro-2-pyrrolidin-1-yl-1,3-thiazole-5-carbaldehyde (CID 2763066) is 4-chloro-2-pyrrolidin-1-yl-1,3-thiazole-5-carbaldehyde.
What is the SMILES notation for 4-chloro-2-pyrrolidin-1-yl-1,3-thiazole-5-carbaldehyde?
The canonical SMILES for 4-chloro-2-pyrrolidin-1-yl-1,3-thiazole-5-carbaldehyde is O=Cc1sc(N2CCCC2)nc1Cl.
What is the InChIKey of 4-chloro-2-pyrrolidin-1-yl-1,3-thiazole-5-carbaldehyde?
The InChIKey is RNCWKOPQPWDUBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9ClN2OS/c9-7-6(5-12)13-8(10-7)11-3-1-2-4-11/h5H,1-4H2.
What are the key properties of 4-chloro-2-pyrrolidin-1-yl-1,3-thiazole-5-carbaldehyde?
4-chloro-2-pyrrolidin-1-yl-1,3-thiazole-5-carbaldehyde has a molecular weight of 216.69 g/mol, XLogP of 2.21, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-pyrrolidin-1-yl-1,3-thiazole-5-carbaldehyde is sourced from PubChem (CID 2763066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).