trans-(1R,3R)-3-(cyanoamino)-N-[5-(1,3-oxazolidin-4-yl)-1,3-thiazol-2-yl]cyclopentane-1-carboxamide

C13H17N5O2S — CID 175972573

IUPACtrans-(1R,3R)-3-(cyanoamino)-N-[5-(1,3-oxazolidin-4-yl)-1,3-thiazol-2-yl]cyclopentane-1-carboxamide
SMILESN#CN[C@@H]1CC[C@@H](C(=O)Nc2ncc(C3COCN3)s2)C1
InChIInChI=1S/C13H17N5O2S/c14-6-16-9-2-1-8(3-9)12(19)18-13-15-4-11(21-13)10-5-20-7-17-10/h4,8-10,16-17H,1-3,5,7H2,(H,15,18,19)/t8-,9-,10?/m1/s1
InChIKeyIIQRYYIHKLKCAZ-MGRQHWMJSA-N
MW307.38 g/mol
LogP0.94
Rot. Bonds4

About trans-(1R,3R)-3-(cyanoamino)-N-[5-(1,3-oxazolidin-4-yl)-1,3-thiazol-2-yl]cyclopentane-1-carboxamide

trans-(1R,3R)-3-(cyanoamino)-N-[5-(1,3-oxazolidin-4-yl)-1,3-thiazol-2-yl]cyclopentane-1-carboxamide (PubChem CID 175972573) has the molecular formula C13H17N5O2S and a molecular weight of 307.38 g/mol. Its IUPAC name is trans-(1R,3R)-3-(cyanoamino)-N-[5-(1,3-oxazolidin-4-yl)-1,3-thiazol-2-yl]cyclopentane-1-carboxamide.

Molecular Properties

Compound Nametrans-(1R,3R)-3-(cyanoamino)-N-[5-(1,3-oxazolidin-4-yl)-1,3-thiazol-2-yl]cyclopentane-1-carboxamide
PubChem CID175972573
Molecular FormulaC13H17N5O2S
Molecular Weight307.38 g/mol
Exact Mass307.11
IUPAC Nametrans-(1R,3R)-3-(cyanoamino)-N-[5-(1,3-oxazolidin-4-yl)-1,3-thiazol-2-yl]cyclopentane-1-carboxamide
SMILESN#CN[C@@H]1CC[C@@H](C(=O)Nc2ncc(C3COCN3)s2)C1
InChIInChI=1S/C13H17N5O2S/c14-6-16-9-2-1-8(3-9)12(19)18-13-15-4-11(21-13)10-5-20-7-17-10/h4,8-10,16-17H,1-3,5,7H2,(H,15,18,19)/t8-,9-,10?/m1/s1
InChIKeyIIQRYYIHKLKCAZ-MGRQHWMJSA-N
XLogP0.94
TPSA99.07 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.38
LogP ≤ 50.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}, {'alert_name': 'enamine', 'substructure': 'N/A'}

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Related Compounds

3-(cyanoamino)-N-[5-(1,3-oxazolidin-4-yl)-1,3-thiazol-2-yl]cyclopentane-1-carboxamide
CID 175514493
(1R)-2-(cyanoamino)-N-(5-cyclohexyl-1,3-thiazol-2-yl)cyclopropane-1-carboxamide
CID 138529996
N-[5-[(2S)-butan-2-yl]-1,3-thiazol-2-yl]-3-(cyanoamino)cyclobutane-1-carboxamide
CID 166970134
N-(5-ethynyl-1,3-thiazol-2-yl)cyclopropanecarboxamide
CID 144888956
2-(cyanoamino)-N-(5-cyclohexyl-1,3-thiazol-2-yl)cyclopentane-1-carboxamide
CID 138530017
N-(5-cyclohexyl-1,3-thiazol-2-yl)-3-(methylamino)cyclobutane-1-carboxamide
CID 155186238
N-(5-fluoro-1,3-thiazol-2-yl)oxetane-3-carboxamide
CID 175957268
3-(cyanoamino)-N-[5-[(2S)-hex-5-en-2-yl]-1,3-thiazol-2-yl]cyclobutane-1-carboxamide
CID 166970127
N-(5-cyano-1,3-thiazol-2-yl)cyclohexanecarboxamide
CID 90603537
4-amino-N-(5-cyclohexyl-1,3-thiazol-2-yl)cyclohexane-1-carboxamide
CID 138524929
N-(5-methyl-1,3-thiazol-2-yl)cyclopropanecarboxamide
CID 3432578
2-methyl-N-(5-methyl-1,3-thiazol-2-yl)piperidine-4-carboxamide
CID 106738614

Frequently Asked Questions

What is the IUPAC name of trans-(1R,3R)-3-(cyanoamino)-N-[5-(1,3-oxazolidin-4-yl)-1,3-thiazol-2-yl]cyclopentane-1-carboxamide?
The IUPAC name of trans-(1R,3R)-3-(cyanoamino)-N-[5-(1,3-oxazolidin-4-yl)-1,3-thiazol-2-yl]cyclopentane-1-carboxamide (CID 175972573) is trans-(1R,3R)-3-(cyanoamino)-N-[5-(1,3-oxazolidin-4-yl)-1,3-thiazol-2-yl]cyclopentane-1-carboxamide.
What is the SMILES notation for trans-(1R,3R)-3-(cyanoamino)-N-[5-(1,3-oxazolidin-4-yl)-1,3-thiazol-2-yl]cyclopentane-1-carboxamide?
The canonical SMILES for trans-(1R,3R)-3-(cyanoamino)-N-[5-(1,3-oxazolidin-4-yl)-1,3-thiazol-2-yl]cyclopentane-1-carboxamide is N#CN[C@@H]1CC[C@@H](C(=O)Nc2ncc(C3COCN3)s2)C1.
What is the InChIKey of trans-(1R,3R)-3-(cyanoamino)-N-[5-(1,3-oxazolidin-4-yl)-1,3-thiazol-2-yl]cyclopentane-1-carboxamide?
The InChIKey is IIQRYYIHKLKCAZ-MGRQHWMJSA-N. The full InChI is InChI=1S/C13H17N5O2S/c14-6-16-9-2-1-8(3-9)12(19)18-13-15-4-11(21-13)10-5-20-7-17-10/h4,8-10,16-17H,1-3,5,7H2,(H,15,18,19)/t8-,9-,10?/m1/s1.
What are the key properties of trans-(1R,3R)-3-(cyanoamino)-N-[5-(1,3-oxazolidin-4-yl)-1,3-thiazol-2-yl]cyclopentane-1-carboxamide?
trans-(1R,3R)-3-(cyanoamino)-N-[5-(1,3-oxazolidin-4-yl)-1,3-thiazol-2-yl]cyclopentane-1-carboxamide has a molecular weight of 307.38 g/mol, XLogP of 0.94, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,3R)-3-(cyanoamino)-N-[5-(1,3-oxazolidin-4-yl)-1,3-thiazol-2-yl]cyclopentane-1-carboxamide is sourced from PubChem (CID 175972573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).