3-amino-4-(2-methyl-1,3-thiazol-5-yl)pyrrolidin-2-one

C8H11N3OS — CID 83484969

IUPAC3-amino-4-(2-methyl-1,3-thiazol-5-yl)pyrrolidin-2-one
SMILESCc1ncc(C2CNC(=O)C2N)s1
InChIInChI=1S/C8H11N3OS/c1-4-10-3-6(13-4)5-2-11-8(12)7(5)9/h3,5,7H,2,9H2,1H3,(H,11,12)
InChIKeyBMPMOJDEXBJRQO-UHFFFAOYSA-N
MW197.26 g/mol
LogP-0.01
Rot. Bonds1

About 3-amino-4-(2-methyl-1,3-thiazol-5-yl)pyrrolidin-2-one

3-amino-4-(2-methyl-1,3-thiazol-5-yl)pyrrolidin-2-one (PubChem CID 83484969) has the molecular formula C8H11N3OS and a molecular weight of 197.26 g/mol. Its IUPAC name is 3-amino-4-(2-methyl-1,3-thiazol-5-yl)pyrrolidin-2-one.

Molecular Properties

Compound Name3-amino-4-(2-methyl-1,3-thiazol-5-yl)pyrrolidin-2-one
PubChem CID83484969
Molecular FormulaC8H11N3OS
Molecular Weight197.26 g/mol
Exact Mass197.06
IUPAC Name3-amino-4-(2-methyl-1,3-thiazol-5-yl)pyrrolidin-2-one
SMILESCc1ncc(C2CNC(=O)C2N)s1
InChIInChI=1S/C8H11N3OS/c1-4-10-3-6(13-4)5-2-11-8(12)7(5)9/h3,5,7H,2,9H2,1H3,(H,11,12)
InChIKeyBMPMOJDEXBJRQO-UHFFFAOYSA-N
XLogP-0.01
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.26
LogP ≤ 5-0.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(2-methyl-1,3-thiazol-5-yl)pyrrolidin-2-one
CID 130580485
2-(2-methyl-1,3-thiazol-5-yl)cyclopropane-1-carboxylic acid
CID 130580399
2,2-dimethyl-3-(2-methyl-1,3-thiazol-5-yl)cyclopropan-1-amine
CID 130580402
2-methyl-5-(3-propan-2-ylazetidin-2-yl)-1,3-thiazole
CID 130878052
(3S,4R)-3-amino-4-hydroxypyrrolidin-2-one
CID 642676
(3S,4R)-3,4-diaminopyrrolidin-2-one
CID 55291509
10-(2-methyl-1,3-thiazol-5-yl)-3,4,6,7,8,9,10,10a-octahydro-1H-[1,4]oxazino[4,3-d][1,4]diazepine
CID 82381757
4-hydroxy-2-(2-methyl-1,3-thiazol-5-yl)cyclohexan-1-one
CID 69483693
3-methyl-4-(2-methyl-1,3-thiazol-4-yl)pyrrolidin-2-one
CID 131059716
1-(5-amino-1,3-thiazol-2-yl)-3,4,4a,6,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridin-5-one
CID 103194526
5-methoxy-2-[4-(2-methyl-1,3-thiazol-5-yl)pyrazolidin-3-yl]phenol
CID 178187467
2-(113C)methyl-1,3-thiazol-5-amine
CID 132647797

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-(2-methyl-1,3-thiazol-5-yl)pyrrolidin-2-one?
The IUPAC name of 3-amino-4-(2-methyl-1,3-thiazol-5-yl)pyrrolidin-2-one (CID 83484969) is 3-amino-4-(2-methyl-1,3-thiazol-5-yl)pyrrolidin-2-one.
What is the SMILES notation for 3-amino-4-(2-methyl-1,3-thiazol-5-yl)pyrrolidin-2-one?
The canonical SMILES for 3-amino-4-(2-methyl-1,3-thiazol-5-yl)pyrrolidin-2-one is Cc1ncc(C2CNC(=O)C2N)s1.
What is the InChIKey of 3-amino-4-(2-methyl-1,3-thiazol-5-yl)pyrrolidin-2-one?
The InChIKey is BMPMOJDEXBJRQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3OS/c1-4-10-3-6(13-4)5-2-11-8(12)7(5)9/h3,5,7H,2,9H2,1H3,(H,11,12).
What are the key properties of 3-amino-4-(2-methyl-1,3-thiazol-5-yl)pyrrolidin-2-one?
3-amino-4-(2-methyl-1,3-thiazol-5-yl)pyrrolidin-2-one has a molecular weight of 197.26 g/mol, XLogP of -0.01, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-(2-methyl-1,3-thiazol-5-yl)pyrrolidin-2-one is sourced from PubChem (CID 83484969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).