2-[(4-methyl-1,3-thiazol-2-yl)amino]-1-pyrrolidin-1-ylethanone

C10H15N3OS — CID 115577665

IUPAC2-[(4-methyl-1,3-thiazol-2-yl)amino]-1-pyrrolidin-1-ylethanone
SMILESCc1csc(NCC(=O)N2CCCC2)n1
InChIInChI=1S/C10H15N3OS/c1-8-7-15-10(12-8)11-6-9(14)13-4-2-3-5-13/h7H,2-6H2,1H3,(H,11,12)
InChIKeyUCTLNPSNZVZDLC-UHFFFAOYSA-N
MW225.32 g/mol
LogP1.49
Rot. Bonds3

About 2-[(4-methyl-1,3-thiazol-2-yl)amino]-1-pyrrolidin-1-ylethanone

2-[(4-methyl-1,3-thiazol-2-yl)amino]-1-pyrrolidin-1-ylethanone (PubChem CID 115577665) has the molecular formula C10H15N3OS and a molecular weight of 225.32 g/mol. Its IUPAC name is 2-[(4-methyl-1,3-thiazol-2-yl)amino]-1-pyrrolidin-1-ylethanone.

Molecular Properties

Compound Name2-[(4-methyl-1,3-thiazol-2-yl)amino]-1-pyrrolidin-1-ylethanone
PubChem CID115577665
Molecular FormulaC10H15N3OS
Molecular Weight225.32 g/mol
Exact Mass225.09
IUPAC Name2-[(4-methyl-1,3-thiazol-2-yl)amino]-1-pyrrolidin-1-ylethanone
SMILESCc1csc(NCC(=O)N2CCCC2)n1
InChIInChI=1S/C10H15N3OS/c1-8-7-15-10(12-8)11-6-9(14)13-4-2-3-5-13/h7H,2-6H2,1H3,(H,11,12)
InChIKeyUCTLNPSNZVZDLC-UHFFFAOYSA-N
XLogP1.49
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.32
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)amino]-1-pyrrolidin-1-ylethanone
CID 47156057
2-[(4-ethyl-1,3-thiazol-2-yl)amino]-1-piperazin-1-ylethanone
CID 62961566
2-[(5-bromo-1,3,4-thiadiazol-2-yl)amino]-1-pyrrolidin-1-ylethanone
CID 115643786
2-(1,3-benzothiazol-2-ylamino)-1-pyrrolidin-1-ylethanone
CID 112683781
1-(azepan-1-yl)-3-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]propan-1-one
CID 4005954
1-[2-[(3,5-difluorobenzoyl)amino]acetyl]-N-(4-methyl-1,3-thiazol-2-yl)piperidine-4-carboxamide
CID 56581809
azepan-1-yl-(4-methyl-1,3-thiazol-2-yl)methanone
CID 110696169
(4-methyl-1,3-thiazol-2-yl)-piperidin-1-ylmethanone
CID 67514784
3-methyl-4-[(4-methyl-1,3-thiazol-2-yl)amino]butanoic acid
CID 81066460
1-[[(4-methyl-1,3-thiazol-2-yl)amino]methyl]cyclopentane-1-carboxylic acid
CID 115433243
2-[[2-methyl-6-[(2S)-pyrrolidin-2-yl]pyrimidin-4-yl]amino]-1-piperidin-1-ylethanone
CID 95825474
1-(azepan-1-yl)-2-[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]ethanone
CID 106045404

Frequently Asked Questions

What is the IUPAC name of 2-[(4-methyl-1,3-thiazol-2-yl)amino]-1-pyrrolidin-1-ylethanone?
The IUPAC name of 2-[(4-methyl-1,3-thiazol-2-yl)amino]-1-pyrrolidin-1-ylethanone (CID 115577665) is 2-[(4-methyl-1,3-thiazol-2-yl)amino]-1-pyrrolidin-1-ylethanone.
What is the SMILES notation for 2-[(4-methyl-1,3-thiazol-2-yl)amino]-1-pyrrolidin-1-ylethanone?
The canonical SMILES for 2-[(4-methyl-1,3-thiazol-2-yl)amino]-1-pyrrolidin-1-ylethanone is Cc1csc(NCC(=O)N2CCCC2)n1.
What is the InChIKey of 2-[(4-methyl-1,3-thiazol-2-yl)amino]-1-pyrrolidin-1-ylethanone?
The InChIKey is UCTLNPSNZVZDLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3OS/c1-8-7-15-10(12-8)11-6-9(14)13-4-2-3-5-13/h7H,2-6H2,1H3,(H,11,12).
What are the key properties of 2-[(4-methyl-1,3-thiazol-2-yl)amino]-1-pyrrolidin-1-ylethanone?
2-[(4-methyl-1,3-thiazol-2-yl)amino]-1-pyrrolidin-1-ylethanone has a molecular weight of 225.32 g/mol, XLogP of 1.49, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methyl-1,3-thiazol-2-yl)amino]-1-pyrrolidin-1-ylethanone is sourced from PubChem (CID 115577665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).