2-[[(3S)-pyrrolidin-3-yl]amino]-1-(1,3-thiazol-2-yl)ethanone

C9H13N3OS — CID 71645013

IUPAC2-[[(3S)-pyrrolidin-3-yl]amino]-1-(1,3-thiazol-2-yl)ethanone
SMILESO=C(CN[C@H]1CCNC1)c1nccs1
InChIInChI=1S/C9H13N3OS/c13-8(9-11-3-4-14-9)6-12-7-1-2-10-5-7/h3-4,7,10,12H,1-2,5-6H2/t7-/m0/s1
InChIKeyLRFCFWYLKBCGTB-ZETCQYMHSA-N
MW211.29 g/mol
LogP0.28
Rot. Bonds4

About 2-[[(3S)-pyrrolidin-3-yl]amino]-1-(1,3-thiazol-2-yl)ethanone

2-[[(3S)-pyrrolidin-3-yl]amino]-1-(1,3-thiazol-2-yl)ethanone (PubChem CID 71645013) has the molecular formula C9H13N3OS and a molecular weight of 211.29 g/mol. Its IUPAC name is 2-[[(3S)-pyrrolidin-3-yl]amino]-1-(1,3-thiazol-2-yl)ethanone.

Molecular Properties

Compound Name2-[[(3S)-pyrrolidin-3-yl]amino]-1-(1,3-thiazol-2-yl)ethanone
PubChem CID71645013
Molecular FormulaC9H13N3OS
Molecular Weight211.29 g/mol
Exact Mass211.08
IUPAC Name2-[[(3S)-pyrrolidin-3-yl]amino]-1-(1,3-thiazol-2-yl)ethanone
SMILESO=C(CN[C@H]1CCNC1)c1nccs1
InChIInChI=1S/C9H13N3OS/c13-8(9-11-3-4-14-9)6-12-7-1-2-10-5-7/h3-4,7,10,12H,1-2,5-6H2/t7-/m0/s1
InChIKeyLRFCFWYLKBCGTB-ZETCQYMHSA-N
XLogP0.28
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.29
LogP ≤ 50.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(pyrrolidin-3-ylamino)-1-(1,3-thiazol-2-yl)ethanone;hydrochloride
CID 71645049
2-(piperidin-3-ylamino)-1-(1,3-thiazol-2-yl)ethanone;hydrochloride
CID 71645037
2-[[(3R)-piperidin-3-yl]amino]-1-(1,3-thiazol-2-yl)ethanone;hydrochloride
CID 71644976
2-(piperidin-3-ylmethoxy)-1-(1,3-thiazol-2-yl)ethanone
CID 71645242
2-[methyl-[(3R)-piperidin-3-yl]amino]-1-(1,3-thiazol-2-yl)ethanone
CID 71641614
2-[[(3S)-piperidin-3-yl]amino]-1-pyridin-2-ylethanone;hydrochloride
CID 71644996
N-(pyrimidin-2-ylmethyl)pyrrolidin-3-amine
CID 89348963
2-(2-hydroxyethylamino)-1-(1,3-thiazol-2-yl)ethanone
CID 66568954
3,8-diazabicyclo[3.2.1]octan-8-yl(1,3-thiazol-2-yl)methanone
CID 175882073
(3S)-N-(1,3-thiazol-2-ylmethyl)pyrrolidine-3-carboxamide
CID 94916816
N-[1-(1,3-thiazol-2-yl)propyl]pyrrolidin-3-amine
CID 79740776
N-pyrrolidin-3-yl-5-(1,3-thiazol-2-yl)-1H-pyrazol-3-amine
CID 114697887

Frequently Asked Questions

What is the IUPAC name of 2-[[(3S)-pyrrolidin-3-yl]amino]-1-(1,3-thiazol-2-yl)ethanone?
The IUPAC name of 2-[[(3S)-pyrrolidin-3-yl]amino]-1-(1,3-thiazol-2-yl)ethanone (CID 71645013) is 2-[[(3S)-pyrrolidin-3-yl]amino]-1-(1,3-thiazol-2-yl)ethanone.
What is the SMILES notation for 2-[[(3S)-pyrrolidin-3-yl]amino]-1-(1,3-thiazol-2-yl)ethanone?
The canonical SMILES for 2-[[(3S)-pyrrolidin-3-yl]amino]-1-(1,3-thiazol-2-yl)ethanone is O=C(CN[C@H]1CCNC1)c1nccs1.
What is the InChIKey of 2-[[(3S)-pyrrolidin-3-yl]amino]-1-(1,3-thiazol-2-yl)ethanone?
The InChIKey is LRFCFWYLKBCGTB-ZETCQYMHSA-N. The full InChI is InChI=1S/C9H13N3OS/c13-8(9-11-3-4-14-9)6-12-7-1-2-10-5-7/h3-4,7,10,12H,1-2,5-6H2/t7-/m0/s1.
What are the key properties of 2-[[(3S)-pyrrolidin-3-yl]amino]-1-(1,3-thiazol-2-yl)ethanone?
2-[[(3S)-pyrrolidin-3-yl]amino]-1-(1,3-thiazol-2-yl)ethanone has a molecular weight of 211.29 g/mol, XLogP of 0.28, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(3S)-pyrrolidin-3-yl]amino]-1-(1,3-thiazol-2-yl)ethanone is sourced from PubChem (CID 71645013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).