(4S)-N-[(3-methyl-1,2-oxazol-5-yl)methyl]-1,3-thiazolidine-4-carboxamide

C9H13N3O2S — CID 97014181

IUPAC(4S)-N-[(3-methyl-1,2-oxazol-5-yl)methyl]-1,3-thiazolidine-4-carboxamide
SMILESCc1cc(CNC(=O)[C@H]2CSCN2)on1
InChIInChI=1S/C9H13N3O2S/c1-6-2-7(14-12-6)3-10-9(13)8-4-15-5-11-8/h2,8,11H,3-5H2,1H3,(H,10,13)/t8-/m1/s1
InChIKeyKCCXBSCFAYHATP-MRVPVSSYSA-N
MW227.29 g/mol
LogP0.26
Rot. Bonds3

About (4S)-N-[(3-methyl-1,2-oxazol-5-yl)methyl]-1,3-thiazolidine-4-carboxamide

(4S)-N-[(3-methyl-1,2-oxazol-5-yl)methyl]-1,3-thiazolidine-4-carboxamide (PubChem CID 97014181) has the molecular formula C9H13N3O2S and a molecular weight of 227.29 g/mol. Its IUPAC name is (4S)-N-[(3-methyl-1,2-oxazol-5-yl)methyl]-1,3-thiazolidine-4-carboxamide.

Molecular Properties

Compound Name(4S)-N-[(3-methyl-1,2-oxazol-5-yl)methyl]-1,3-thiazolidine-4-carboxamide
PubChem CID97014181
Molecular FormulaC9H13N3O2S
Molecular Weight227.29 g/mol
Exact Mass227.07
IUPAC Name(4S)-N-[(3-methyl-1,2-oxazol-5-yl)methyl]-1,3-thiazolidine-4-carboxamide
SMILESCc1cc(CNC(=O)[C@H]2CSCN2)on1
InChIInChI=1S/C9H13N3O2S/c1-6-2-7(14-12-6)3-10-9(13)8-4-15-5-11-8/h2,8,11H,3-5H2,1H3,(H,10,13)/t8-/m1/s1
InChIKeyKCCXBSCFAYHATP-MRVPVSSYSA-N
XLogP0.26
TPSA67.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.29
LogP ≤ 50.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(3-methyl-1,2-oxazol-5-yl)methyl]azepane-2-carboxamide
CID 64569142
N-(3-methyl-1,2-oxazol-5-yl)-1,3-thiazolidine-4-carboxamide
CID 24700542
N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1,3-thiazolidine-4-carboxamide
CID 61015389
N-[(3-methyl-1,2-oxazol-5-yl)methyl]cyclopropanecarboxamide
CID 53017058
N-[(6-methylpyridazin-3-yl)methyl]-1,3-thiazolidine-4-carboxamide
CID 110746243
N-[(2,4,6-trimethylphenyl)methyl]-1,3-thiazolidine-4-carboxamide
CID 110793633
[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]-(1,3-thiazolidin-4-yl)methanone;dihydrochloride
CID 119399338
2-amino-N-[(3-methyl-1,2-oxazol-5-yl)methyl]cyclopropane-1-carboxamide
CID 82237400
N-[(2,4-dimethyl-1,3-oxazol-5-yl)methyl]-1,3-thiazolidine-4-carboxamide
CID 110742446
N-[(5-methyl-1H-pyrazol-4-yl)methyl]-1,3-thiazolidine-4-carboxamide
CID 61021789
(2R,3S)-2-methyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]morpholine-3-carboxamide;hydrochloride
CID 120928446
N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-1,3-thiazolidine-4-carboxamide
CID 106371148

Frequently Asked Questions

What is the IUPAC name of (4S)-N-[(3-methyl-1,2-oxazol-5-yl)methyl]-1,3-thiazolidine-4-carboxamide?
The IUPAC name of (4S)-N-[(3-methyl-1,2-oxazol-5-yl)methyl]-1,3-thiazolidine-4-carboxamide (CID 97014181) is (4S)-N-[(3-methyl-1,2-oxazol-5-yl)methyl]-1,3-thiazolidine-4-carboxamide.
What is the SMILES notation for (4S)-N-[(3-methyl-1,2-oxazol-5-yl)methyl]-1,3-thiazolidine-4-carboxamide?
The canonical SMILES for (4S)-N-[(3-methyl-1,2-oxazol-5-yl)methyl]-1,3-thiazolidine-4-carboxamide is Cc1cc(CNC(=O)[C@H]2CSCN2)on1.
What is the InChIKey of (4S)-N-[(3-methyl-1,2-oxazol-5-yl)methyl]-1,3-thiazolidine-4-carboxamide?
The InChIKey is KCCXBSCFAYHATP-MRVPVSSYSA-N. The full InChI is InChI=1S/C9H13N3O2S/c1-6-2-7(14-12-6)3-10-9(13)8-4-15-5-11-8/h2,8,11H,3-5H2,1H3,(H,10,13)/t8-/m1/s1.
What are the key properties of (4S)-N-[(3-methyl-1,2-oxazol-5-yl)methyl]-1,3-thiazolidine-4-carboxamide?
(4S)-N-[(3-methyl-1,2-oxazol-5-yl)methyl]-1,3-thiazolidine-4-carboxamide has a molecular weight of 227.29 g/mol, XLogP of 0.26, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-N-[(3-methyl-1,2-oxazol-5-yl)methyl]-1,3-thiazolidine-4-carboxamide is sourced from PubChem (CID 97014181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).