(2R,3S)-N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylmethyl)-2-(1-ethylpyrazol-4-yl)oxan-3-amine

C17H24N4OS — CID 128992535

IUPAC(2R,3S)-N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylmethyl)-2-(1-ethylpyrazol-4-yl)oxan-3-amine
SMILESCCn1cc([C@H]2OCCC[C@@H]2NCc2nc3c(s2)CCC3)cn1
InChIInChI=1S/C17H24N4OS/c1-2-21-11-12(9-19-21)17-14(6-4-8-22-17)18-10-16-20-13-5-3-7-15(13)23-16/h9,11,14,17-18H,2-8,10H2,1H3/t14-,17+/m0/s1
InChIKeyHWCJOUMKZHQVHA-WMLDXEAASA-N
MW332.47 g/mol
LogP2.86
Rot. Bonds5

About (2R,3S)-N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylmethyl)-2-(1-ethylpyrazol-4-yl)oxan-3-amine

(2R,3S)-N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylmethyl)-2-(1-ethylpyrazol-4-yl)oxan-3-amine (PubChem CID 128992535) has the molecular formula C17H24N4OS and a molecular weight of 332.47 g/mol. Its IUPAC name is (2R,3S)-N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylmethyl)-2-(1-ethylpyrazol-4-yl)oxan-3-amine.

Molecular Properties

Compound Name(2R,3S)-N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylmethyl)-2-(1-ethylpyrazol-4-yl)oxan-3-amine
PubChem CID128992535
Molecular FormulaC17H24N4OS
Molecular Weight332.47 g/mol
Exact Mass332.17
IUPAC Name(2R,3S)-N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylmethyl)-2-(1-ethylpyrazol-4-yl)oxan-3-amine
SMILESCCn1cc([C@H]2OCCC[C@@H]2NCc2nc3c(s2)CCC3)cn1
InChIInChI=1S/C17H24N4OS/c1-2-21-11-12(9-19-21)17-14(6-4-8-22-17)18-10-16-20-13-5-3-7-15(13)23-16/h9,11,14,17-18H,2-8,10H2,1H3/t14-,17+/m0/s1
InChIKeyHWCJOUMKZHQVHA-WMLDXEAASA-N
XLogP2.86
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.47
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(2R,3S)-2-(1-ethylpyrazol-4-yl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]oxan-3-amine
CID 129005578
(2R,3S)-N-[(1-ethylpyrazol-4-yl)methyl]-2-(4-methylphenyl)oxan-3-amine
CID 129370432
(2R,3S)-2-(1-ethylpyrazol-4-yl)-N-[[4-[(R)-methylsulfinyl]phenyl]methyl]oxan-3-amine
CID 129342159
(2R,3S)-2-(1-ethylpyrazol-4-yl)-N-(pyrazolo[1,5-a]pyridin-3-ylmethyl)oxan-3-amine
CID 129007116
(2R,3S)-2-(1-methylpyrazol-4-yl)-N-[(1-methylpyrazol-4-yl)methyl]oxan-3-amine
CID 129007130
N-[[2-(1-ethylpyrazol-4-yl)oxan-3-yl]methyl]-2-methylpropan-2-amine
CID 103571051
[(2R,3S)-2-(1-ethylpyrazol-4-yl)oxan-3-yl]methanamine
CID 122164121
(2R,3S)-2-(1-ethylpyrazol-4-yl)-N-[[1-(pyridin-3-ylmethyl)triazol-4-yl]methyl]oxan-3-amine
CID 129003334
(2R,3S)-2-(1-methylpyrazol-4-yl)-N-[(5-methylthiophen-2-yl)methyl]oxan-3-amine
CID 128967215
N-[4-[[(2R,3S)-2-(1-ethylpyrazol-4-yl)oxan-3-yl]amino]cyclohexyl]acetamide
CID 128981450
N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylmethyl)-1-[(2R,3S)-2-(2-ethylpyrazol-3-yl)oxolan-3-yl]methanamine
CID 129007044
1-[(2R,3S)-2-(1-ethylpyrazol-4-yl)oxan-3-yl]-3-(1,3-thiazol-4-ylmethyl)urea
CID 128970251

Frequently Asked Questions

What is the IUPAC name of (2R,3S)-N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylmethyl)-2-(1-ethylpyrazol-4-yl)oxan-3-amine?
The IUPAC name of (2R,3S)-N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylmethyl)-2-(1-ethylpyrazol-4-yl)oxan-3-amine (CID 128992535) is (2R,3S)-N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylmethyl)-2-(1-ethylpyrazol-4-yl)oxan-3-amine.
What is the SMILES notation for (2R,3S)-N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylmethyl)-2-(1-ethylpyrazol-4-yl)oxan-3-amine?
The canonical SMILES for (2R,3S)-N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylmethyl)-2-(1-ethylpyrazol-4-yl)oxan-3-amine is CCn1cc([C@H]2OCCC[C@@H]2NCc2nc3c(s2)CCC3)cn1.
What is the InChIKey of (2R,3S)-N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylmethyl)-2-(1-ethylpyrazol-4-yl)oxan-3-amine?
The InChIKey is HWCJOUMKZHQVHA-WMLDXEAASA-N. The full InChI is InChI=1S/C17H24N4OS/c1-2-21-11-12(9-19-21)17-14(6-4-8-22-17)18-10-16-20-13-5-3-7-15(13)23-16/h9,11,14,17-18H,2-8,10H2,1H3/t14-,17+/m0/s1.
What are the key properties of (2R,3S)-N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylmethyl)-2-(1-ethylpyrazol-4-yl)oxan-3-amine?
(2R,3S)-N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylmethyl)-2-(1-ethylpyrazol-4-yl)oxan-3-amine has a molecular weight of 332.47 g/mol, XLogP of 2.86, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylmethyl)-2-(1-ethylpyrazol-4-yl)oxan-3-amine is sourced from PubChem (CID 128992535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).