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

C17H24N4OS — CID 129007044

IUPACN-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylmethyl)-1-[(2R,3S)-2-(2-ethylpyrazol-3-yl)oxolan-3-yl]methanamine
SMILESCCn1nccc1[C@@H]1OCC[C@H]1CNCc1nc2c(s1)CCC2
InChIInChI=1S/C17H24N4OS/c1-2-21-14(6-8-19-21)17-12(7-9-22-17)10-18-11-16-20-13-4-3-5-15(13)23-16/h6,8,12,17-18H,2-5,7,9-11H2,1H3/t12-,17+/m0/s1
InChIKeyXHJOQNPZVLJBBA-YVEFUNNKSA-N
MW332.47 g/mol
LogP2.72
Rot. Bonds6

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

N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylmethyl)-1-[(2R,3S)-2-(2-ethylpyrazol-3-yl)oxolan-3-yl]methanamine (PubChem CID 129007044) has the molecular formula C17H24N4OS and a molecular weight of 332.47 g/mol. Its IUPAC name is N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylmethyl)-1-[(2R,3S)-2-(2-ethylpyrazol-3-yl)oxolan-3-yl]methanamine.

Molecular Properties

Compound NameN-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylmethyl)-1-[(2R,3S)-2-(2-ethylpyrazol-3-yl)oxolan-3-yl]methanamine
PubChem CID129007044
Molecular FormulaC17H24N4OS
Molecular Weight332.47 g/mol
Exact Mass332.17
IUPAC NameN-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylmethyl)-1-[(2R,3S)-2-(2-ethylpyrazol-3-yl)oxolan-3-yl]methanamine
SMILESCCn1nccc1[C@@H]1OCC[C@H]1CNCc1nc2c(s1)CCC2
InChIInChI=1S/C17H24N4OS/c1-2-21-14(6-8-19-21)17-12(7-9-22-17)10-18-11-16-20-13-4-3-5-15(13)23-16/h6,8,12,17-18H,2-5,7,9-11H2,1H3/t12-,17+/m0/s1
InChIKeyXHJOQNPZVLJBBA-YVEFUNNKSA-N
XLogP2.72
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.47
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylmethyl)-1-[(2R,3S)-2-(2-ethylpyrazol-3-yl)oxolan-3-yl]methanamine with MolForge

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Related Compounds

N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-1-[(2R,3S)-2-(2-ethylpyrazol-3-yl)oxolan-3-yl]methanamine
CID 128976265
1-[(2R,3S)-2-(2-ethylpyrazol-3-yl)oxolan-3-yl]-N-[(4-methyl-1,3-thiazol-5-yl)methyl]methanamine
CID 128976192
1-[(2R,3S)-2-(2-ethylpyrazol-3-yl)oxolan-3-yl]-N-(imidazo[1,2-a]pyridin-5-ylmethyl)methanamine
CID 128992159
(3R)-N-[[(2R,3S)-2-(2-ethylpyrazol-3-yl)oxolan-3-yl]methyl]thian-3-amine
CID 129343353
N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylmethyl)-1-[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methanamine
CID 128992917
N-[(2-ethylpyrazol-3-yl)methyl]-1-[(2S,3R)-2-phenyloxolan-3-yl]methanamine
CID 129005258
(2R,3S)-N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylmethyl)-2-(1-ethylpyrazol-4-yl)oxan-3-amine
CID 128992535
N-[[(2R,3S)-2-(2-ethylpyrazol-3-yl)oxolan-3-yl]methyl]-4-(furan-2-yl)butan-2-amine
CID 128976319
1-benzyl-N-[[(2R,3S)-2-(2-ethylpyrazol-3-yl)oxolan-3-yl]methyl]piperidin-3-amine
CID 128967418
1-[(2R,3S)-2-(2-methylpyrazol-3-yl)oxolan-3-yl]-N-[(2-methyl-1,3-thiazol-5-yl)methyl]methanamine
CID 128976235
5-bromo-N-[[(2R,3S)-2-(2-ethylpyrazol-3-yl)oxolan-3-yl]methyl]pyrimidin-4-amine
CID 129005887
2-[[(2R,3S)-2-(2-ethylpyrazol-3-yl)oxolan-3-yl]methyl]-1-propan-2-ylguanidine
CID 122082189

Frequently Asked Questions

What is the IUPAC name of N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylmethyl)-1-[(2R,3S)-2-(2-ethylpyrazol-3-yl)oxolan-3-yl]methanamine?
The IUPAC name of 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) is N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylmethyl)-1-[(2R,3S)-2-(2-ethylpyrazol-3-yl)oxolan-3-yl]methanamine.
What is the SMILES notation for N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylmethyl)-1-[(2R,3S)-2-(2-ethylpyrazol-3-yl)oxolan-3-yl]methanamine?
The canonical SMILES for N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylmethyl)-1-[(2R,3S)-2-(2-ethylpyrazol-3-yl)oxolan-3-yl]methanamine is CCn1nccc1[C@@H]1OCC[C@H]1CNCc1nc2c(s1)CCC2.
What is the InChIKey of N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylmethyl)-1-[(2R,3S)-2-(2-ethylpyrazol-3-yl)oxolan-3-yl]methanamine?
The InChIKey is XHJOQNPZVLJBBA-YVEFUNNKSA-N. The full InChI is InChI=1S/C17H24N4OS/c1-2-21-14(6-8-19-21)17-12(7-9-22-17)10-18-11-16-20-13-4-3-5-15(13)23-16/h6,8,12,17-18H,2-5,7,9-11H2,1H3/t12-,17+/m0/s1.
What are the key properties of N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylmethyl)-1-[(2R,3S)-2-(2-ethylpyrazol-3-yl)oxolan-3-yl]methanamine?
N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylmethyl)-1-[(2R,3S)-2-(2-ethylpyrazol-3-yl)oxolan-3-yl]methanamine has a molecular weight of 332.47 g/mol, XLogP of 2.72, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylmethyl)-1-[(2R,3S)-2-(2-ethylpyrazol-3-yl)oxolan-3-yl]methanamine is sourced from PubChem (CID 129007044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).