N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-1-[(2R,3S)-2-(2-ethylpyrazol-3-yl)oxolan-3-yl]methanamine

C16H24N4OS — CID 128976265

IUPACN-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-1-[(2R,3S)-2-(2-ethylpyrazol-3-yl)oxolan-3-yl]methanamine
SMILESCCn1nccc1[C@@H]1OCC[C@H]1CNCc1sc(C)nc1C
InChIInChI=1S/C16H24N4OS/c1-4-20-14(5-7-18-20)16-13(6-8-21-16)9-17-10-15-11(2)19-12(3)22-15/h5,7,13,16-17H,4,6,8-10H2,1-3H3/t13-,16+/m0/s1
InChIKeyBRWXWJAPLXMYAG-XJKSGUPXSA-N
MW320.46 g/mol
LogP2.84
Rot. Bonds6

About N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-1-[(2R,3S)-2-(2-ethylpyrazol-3-yl)oxolan-3-yl]methanamine

N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-1-[(2R,3S)-2-(2-ethylpyrazol-3-yl)oxolan-3-yl]methanamine (PubChem CID 128976265) has the molecular formula C16H24N4OS and a molecular weight of 320.46 g/mol. Its IUPAC name is N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-1-[(2R,3S)-2-(2-ethylpyrazol-3-yl)oxolan-3-yl]methanamine.

Molecular Properties

Compound NameN-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-1-[(2R,3S)-2-(2-ethylpyrazol-3-yl)oxolan-3-yl]methanamine
PubChem CID128976265
Molecular FormulaC16H24N4OS
Molecular Weight320.46 g/mol
Exact Mass320.17
IUPAC NameN-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-1-[(2R,3S)-2-(2-ethylpyrazol-3-yl)oxolan-3-yl]methanamine
SMILESCCn1nccc1[C@@H]1OCC[C@H]1CNCc1sc(C)nc1C
InChIInChI=1S/C16H24N4OS/c1-4-20-14(5-7-18-20)16-13(6-8-21-16)9-17-10-15-11(2)19-12(3)22-15/h5,7,13,16-17H,4,6,8-10H2,1-3H3/t13-,16+/m0/s1
InChIKeyBRWXWJAPLXMYAG-XJKSGUPXSA-N
XLogP2.84
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.46
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[(2R,3S)-2-(2-ethylpyrazol-3-yl)oxolan-3-yl]-N-[(4-methyl-1,3-thiazol-5-yl)methyl]methanamine
CID 128976192
N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-1-[(2R,3S)-2-(1-methylpyrazol-4-yl)oxolan-3-yl]methanamine
CID 97002741
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-(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
1-[(2R,3S)-2-(2-methylpyrazol-3-yl)oxolan-3-yl]-N-[(2-methyl-1,3-thiazol-5-yl)methyl]methanamine
CID 128976235
N-[(2-ethylpyrazol-3-yl)methyl]-1-[(2S,3R)-2-phenyloxolan-3-yl]methanamine
CID 129005258
N-[4-[[(2R,3S)-2-(2-ethylpyrazol-3-yl)oxolan-3-yl]methylamino]cyclohexyl]acetamide
CID 128976188
N-[[(2R,3S)-2-(2-ethylpyrazol-3-yl)oxolan-3-yl]methyl]-4-(furan-2-yl)butan-2-amine
CID 128976319
5-bromo-N-[[(2R,3S)-2-(2-ethylpyrazol-3-yl)oxolan-3-yl]methyl]pyrimidin-4-amine
CID 129005887
1-benzyl-N-[[(2R,3S)-2-(2-ethylpyrazol-3-yl)oxolan-3-yl]methyl]piperidin-3-amine
CID 128967418
(2S)-4-(1,3-benzodioxol-5-yl)-N-[[(2R,3S)-2-(2-ethylpyrazol-3-yl)oxolan-3-yl]methyl]butan-2-amine
CID 129476027

Frequently Asked Questions

What is the IUPAC name of N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-1-[(2R,3S)-2-(2-ethylpyrazol-3-yl)oxolan-3-yl]methanamine?
The IUPAC name of N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-1-[(2R,3S)-2-(2-ethylpyrazol-3-yl)oxolan-3-yl]methanamine (CID 128976265) is N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-1-[(2R,3S)-2-(2-ethylpyrazol-3-yl)oxolan-3-yl]methanamine.
What is the SMILES notation for N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-1-[(2R,3S)-2-(2-ethylpyrazol-3-yl)oxolan-3-yl]methanamine?
The canonical SMILES for N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-1-[(2R,3S)-2-(2-ethylpyrazol-3-yl)oxolan-3-yl]methanamine is CCn1nccc1[C@@H]1OCC[C@H]1CNCc1sc(C)nc1C.
What is the InChIKey of N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-1-[(2R,3S)-2-(2-ethylpyrazol-3-yl)oxolan-3-yl]methanamine?
The InChIKey is BRWXWJAPLXMYAG-XJKSGUPXSA-N. The full InChI is InChI=1S/C16H24N4OS/c1-4-20-14(5-7-18-20)16-13(6-8-21-16)9-17-10-15-11(2)19-12(3)22-15/h5,7,13,16-17H,4,6,8-10H2,1-3H3/t13-,16+/m0/s1.
What are the key properties of N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-1-[(2R,3S)-2-(2-ethylpyrazol-3-yl)oxolan-3-yl]methanamine?
N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-1-[(2R,3S)-2-(2-ethylpyrazol-3-yl)oxolan-3-yl]methanamine has a molecular weight of 320.46 g/mol, XLogP of 2.84, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-1-[(2R,3S)-2-(2-ethylpyrazol-3-yl)oxolan-3-yl]methanamine is sourced from PubChem (CID 128976265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).