N-[(2S,3S)-2-(1-methylimidazol-2-yl)oxolan-3-yl]-1-(1,3-thiazol-2-yl)piperidin-4-amine

C16H23N5OS — CID 128973363

IUPACN-[(2S,3S)-2-(1-methylimidazol-2-yl)oxolan-3-yl]-1-(1,3-thiazol-2-yl)piperidin-4-amine
SMILESCn1ccnc1[C@H]1OCC[C@@H]1NC1CCN(c2nccs2)CC1
InChIInChI=1S/C16H23N5OS/c1-20-9-5-17-15(20)14-13(4-10-22-14)19-12-2-7-21(8-3-12)16-18-6-11-23-16/h5-6,9,11-14,19H,2-4,7-8,10H2,1H3/t13-,14-/m0/s1
InChIKeyQCHGBXJPZGBZAY-KBPBESRZSA-N
MW333.46 g/mol
LogP1.97
Rot. Bonds4

About N-[(2S,3S)-2-(1-methylimidazol-2-yl)oxolan-3-yl]-1-(1,3-thiazol-2-yl)piperidin-4-amine

N-[(2S,3S)-2-(1-methylimidazol-2-yl)oxolan-3-yl]-1-(1,3-thiazol-2-yl)piperidin-4-amine (PubChem CID 128973363) has the molecular formula C16H23N5OS and a molecular weight of 333.46 g/mol. Its IUPAC name is N-[(2S,3S)-2-(1-methylimidazol-2-yl)oxolan-3-yl]-1-(1,3-thiazol-2-yl)piperidin-4-amine.

Molecular Properties

Compound NameN-[(2S,3S)-2-(1-methylimidazol-2-yl)oxolan-3-yl]-1-(1,3-thiazol-2-yl)piperidin-4-amine
PubChem CID128973363
Molecular FormulaC16H23N5OS
Molecular Weight333.46 g/mol
Exact Mass333.16
IUPAC NameN-[(2S,3S)-2-(1-methylimidazol-2-yl)oxolan-3-yl]-1-(1,3-thiazol-2-yl)piperidin-4-amine
SMILESCn1ccnc1[C@H]1OCC[C@@H]1NC1CCN(c2nccs2)CC1
InChIInChI=1S/C16H23N5OS/c1-20-9-5-17-15(20)14-13(4-10-22-14)19-12-2-7-21(8-3-12)16-18-6-11-23-16/h5-6,9,11-14,19H,2-4,7-8,10H2,1H3/t13-,14-/m0/s1
InChIKeyQCHGBXJPZGBZAY-KBPBESRZSA-N
XLogP1.97
TPSA55.21 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.46
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[(2S,3S)-2-(1-methylimidazol-2-yl)oxolan-3-yl]-1-(2,2,2-trifluoroethyl)piperidin-4-amine
CID 128970823
(2S,3S)-2-(1-methylimidazol-2-yl)-N-[(1R,3S,5R)-3-methyl-5-phenylcyclohexyl]oxolan-3-amine
CID 129474553
1-cyclopropyl-N-[(2S,3S)-2-(1-methylimidazol-2-yl)oxolan-3-yl]pyrrole-2-carboxamide
CID 128968417
N-(4-propan-2-yloxycyclohexyl)-1-(1,3-thiazol-2-yl)piperidin-4-amine
CID 84596152
(2S,3S)-2-(1-methylimidazol-2-yl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]oxolan-3-amine
CID 128976445
N-[(2S,3S)-2-(1-methylimidazol-2-yl)oxolan-3-yl]oxane-2-carboxamide
CID 128970459
(2S,3S)-N-(1,3-diphenylpropan-2-yl)-2-(1-methylimidazol-2-yl)oxolan-3-amine
CID 154794407
(2R,3S)-2-(1-methylimidazol-2-yl)oxolane-3-carboxylic acid
CID 124709720
(2S,5R)-5-methyl-N-[(2S,3S)-2-(1-methylimidazol-2-yl)oxolan-3-yl]oxolane-2-carboxamide
CID 129333968
ethane;N'-[1-(1,3-thiazol-2-yl)piperidin-4-yl]ethane-1,2-diamine
CID 91531347
1-phenyl-3-[[1-(1,3-thiazol-2-yl)piperidin-4-yl]amino]pyrrolidin-2-one
CID 86786507
6-methyl-N-[(2S,3S)-2-(1-methylimidazol-2-yl)oxolan-3-yl]pyrimidin-4-amine
CID 128977675

Frequently Asked Questions

What is the IUPAC name of N-[(2S,3S)-2-(1-methylimidazol-2-yl)oxolan-3-yl]-1-(1,3-thiazol-2-yl)piperidin-4-amine?
The IUPAC name of N-[(2S,3S)-2-(1-methylimidazol-2-yl)oxolan-3-yl]-1-(1,3-thiazol-2-yl)piperidin-4-amine (CID 128973363) is N-[(2S,3S)-2-(1-methylimidazol-2-yl)oxolan-3-yl]-1-(1,3-thiazol-2-yl)piperidin-4-amine.
What is the SMILES notation for N-[(2S,3S)-2-(1-methylimidazol-2-yl)oxolan-3-yl]-1-(1,3-thiazol-2-yl)piperidin-4-amine?
The canonical SMILES for N-[(2S,3S)-2-(1-methylimidazol-2-yl)oxolan-3-yl]-1-(1,3-thiazol-2-yl)piperidin-4-amine is Cn1ccnc1[C@H]1OCC[C@@H]1NC1CCN(c2nccs2)CC1.
What is the InChIKey of N-[(2S,3S)-2-(1-methylimidazol-2-yl)oxolan-3-yl]-1-(1,3-thiazol-2-yl)piperidin-4-amine?
The InChIKey is QCHGBXJPZGBZAY-KBPBESRZSA-N. The full InChI is InChI=1S/C16H23N5OS/c1-20-9-5-17-15(20)14-13(4-10-22-14)19-12-2-7-21(8-3-12)16-18-6-11-23-16/h5-6,9,11-14,19H,2-4,7-8,10H2,1H3/t13-,14-/m0/s1.
What are the key properties of N-[(2S,3S)-2-(1-methylimidazol-2-yl)oxolan-3-yl]-1-(1,3-thiazol-2-yl)piperidin-4-amine?
N-[(2S,3S)-2-(1-methylimidazol-2-yl)oxolan-3-yl]-1-(1,3-thiazol-2-yl)piperidin-4-amine has a molecular weight of 333.46 g/mol, XLogP of 1.97, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S,3S)-2-(1-methylimidazol-2-yl)oxolan-3-yl]-1-(1,3-thiazol-2-yl)piperidin-4-amine is sourced from PubChem (CID 128973363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).