(5-chloro-1,3-thiazol-2-yl)-[3-(methylamino)pyrrolidin-1-yl]methanone

C9H12ClN3OS — CID 170768137

IUPAC(5-chloro-1,3-thiazol-2-yl)-[3-(methylamino)pyrrolidin-1-yl]methanone
SMILESCNC1CCN(C(=O)c2ncc(Cl)s2)C1
InChIInChI=1S/C9H12ClN3OS/c1-11-6-2-3-13(5-6)9(14)8-12-4-7(10)15-8/h4,6,11H,2-3,5H2,1H3
InChIKeyGVXPTCRHWLRSHT-UHFFFAOYSA-N
MW245.73 g/mol
LogP1.23
Rot. Bonds2

About (5-chloro-1,3-thiazol-2-yl)-[3-(methylamino)pyrrolidin-1-yl]methanone

(5-chloro-1,3-thiazol-2-yl)-[3-(methylamino)pyrrolidin-1-yl]methanone (PubChem CID 170768137) has the molecular formula C9H12ClN3OS and a molecular weight of 245.73 g/mol. Its IUPAC name is (5-chloro-1,3-thiazol-2-yl)-[3-(methylamino)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name(5-chloro-1,3-thiazol-2-yl)-[3-(methylamino)pyrrolidin-1-yl]methanone
PubChem CID170768137
Molecular FormulaC9H12ClN3OS
Molecular Weight245.73 g/mol
Exact Mass245.04
IUPAC Name(5-chloro-1,3-thiazol-2-yl)-[3-(methylamino)pyrrolidin-1-yl]methanone
SMILESCNC1CCN(C(=O)c2ncc(Cl)s2)C1
InChIInChI=1S/C9H12ClN3OS/c1-11-6-2-3-13(5-6)9(14)8-12-4-7(10)15-8/h4,6,11H,2-3,5H2,1H3
InChIKeyGVXPTCRHWLRSHT-UHFFFAOYSA-N
XLogP1.23
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.73
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (5-chloro-1,3-thiazol-2-yl)-[3-(methylamino)pyrrolidin-1-yl]methanone?
The IUPAC name of (5-chloro-1,3-thiazol-2-yl)-[3-(methylamino)pyrrolidin-1-yl]methanone (CID 170768137) is (5-chloro-1,3-thiazol-2-yl)-[3-(methylamino)pyrrolidin-1-yl]methanone.
What is the SMILES notation for (5-chloro-1,3-thiazol-2-yl)-[3-(methylamino)pyrrolidin-1-yl]methanone?
The canonical SMILES for (5-chloro-1,3-thiazol-2-yl)-[3-(methylamino)pyrrolidin-1-yl]methanone is CNC1CCN(C(=O)c2ncc(Cl)s2)C1.
What is the InChIKey of (5-chloro-1,3-thiazol-2-yl)-[3-(methylamino)pyrrolidin-1-yl]methanone?
The InChIKey is GVXPTCRHWLRSHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12ClN3OS/c1-11-6-2-3-13(5-6)9(14)8-12-4-7(10)15-8/h4,6,11H,2-3,5H2,1H3.
What are the key properties of (5-chloro-1,3-thiazol-2-yl)-[3-(methylamino)pyrrolidin-1-yl]methanone?
(5-chloro-1,3-thiazol-2-yl)-[3-(methylamino)pyrrolidin-1-yl]methanone has a molecular weight of 245.73 g/mol, XLogP of 1.23, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chloro-1,3-thiazol-2-yl)-[3-(methylamino)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 170768137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).