2,5-dimethyl-N-[1-[[(2R)-oxolan-2-yl]methyl]piperidin-4-yl]-1,3-thiazole-4-carboxamide

C16H25N3O2S — CID 125165824

IUPAC2,5-dimethyl-N-[1-[[(2R)-oxolan-2-yl]methyl]piperidin-4-yl]-1,3-thiazole-4-carboxamide
SMILESCc1nc(C(=O)NC2CCN(C[C@H]3CCCO3)CC2)c(C)s1
InChIInChI=1S/C16H25N3O2S/c1-11-15(17-12(2)22-11)16(20)18-13-5-7-19(8-6-13)10-14-4-3-9-21-14/h13-14H,3-10H2,1-2H3,(H,18,20)/t14-/m1/s1
InChIKeyDTFBAHRZIDXPGD-CQSZACIVSA-N
MW323.46 g/mol
LogP2.13
Rot. Bonds4

About 2,5-dimethyl-N-[1-[[(2R)-oxolan-2-yl]methyl]piperidin-4-yl]-1,3-thiazole-4-carboxamide

2,5-dimethyl-N-[1-[[(2R)-oxolan-2-yl]methyl]piperidin-4-yl]-1,3-thiazole-4-carboxamide (PubChem CID 125165824) has the molecular formula C16H25N3O2S and a molecular weight of 323.46 g/mol. Its IUPAC name is 2,5-dimethyl-N-[1-[[(2R)-oxolan-2-yl]methyl]piperidin-4-yl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2,5-dimethyl-N-[1-[[(2R)-oxolan-2-yl]methyl]piperidin-4-yl]-1,3-thiazole-4-carboxamide
PubChem CID125165824
Molecular FormulaC16H25N3O2S
Molecular Weight323.46 g/mol
Exact Mass323.17
IUPAC Name2,5-dimethyl-N-[1-[[(2R)-oxolan-2-yl]methyl]piperidin-4-yl]-1,3-thiazole-4-carboxamide
SMILESCc1nc(C(=O)NC2CCN(C[C@H]3CCCO3)CC2)c(C)s1
InChIInChI=1S/C16H25N3O2S/c1-11-15(17-12(2)22-11)16(20)18-13-5-7-19(8-6-13)10-14-4-3-9-21-14/h13-14H,3-10H2,1-2H3,(H,18,20)/t14-/m1/s1
InChIKeyDTFBAHRZIDXPGD-CQSZACIVSA-N
XLogP2.13
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.46
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3,5-dimethyl-N-[1-(oxolan-2-ylmethyl)piperidin-4-yl]-1,2-oxazole-4-carboxamide
CID 91793749
3,5-dichloro-4-methyl-N-[1-(oxolan-2-ylmethyl)piperidin-4-yl]benzamide
CID 72896765
3,5-dichloro-4-methyl-N-[1-[[(2R)-oxolan-2-yl]methyl]piperidin-4-yl]benzamide
CID 97200263
4-[[1-(oxolan-2-ylmethyl)piperidin-4-yl]carbamoyl]benzoic acid
CID 146134662
N-[1-[[(2S)-oxolan-2-yl]methyl]piperidin-4-yl]-1H-pyrazole-4-carboxamide
CID 99929059
1-ethyl-N-[1-[[(2R)-oxolan-2-yl]methyl]piperidin-4-yl]pyrazole-3-carboxamide
CID 125172263
7-fluoro-2-methyl-N-[1-[[(2S)-oxolan-2-yl]methyl]piperidin-4-yl]quinoline-4-carboxamide
CID 96575727
7-methyl-N-[1-(oxolan-2-ylmethyl)piperidin-4-yl]pyrazolo[1,5-a]pyrimidine-6-carboxamide
CID 118770888
N-[1-(oxolan-2-ylmethyl)piperidin-4-yl]-4-(propan-2-ylamino)-2,3-dihydro-1-benzofuran-7-carboxamide
CID 19780199
N-[1-[[(2S)-oxolan-2-yl]methyl]piperidin-4-yl]-3-pyrimidin-5-ylbenzamide
CID 125157089
5-(3-methylphenyl)-N-[1-[[(2S)-oxolan-2-yl]methyl]piperidin-4-yl]-1H-pyrazole-4-carboxamide
CID 124855451
4-methyl-1-(3-methylbutyl)-2-oxo-N-[1-(oxolan-2-ylmethyl)piperidin-4-yl]pyridine-3-carboxamide
CID 172664709

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-N-[1-[[(2R)-oxolan-2-yl]methyl]piperidin-4-yl]-1,3-thiazole-4-carboxamide?
The IUPAC name of 2,5-dimethyl-N-[1-[[(2R)-oxolan-2-yl]methyl]piperidin-4-yl]-1,3-thiazole-4-carboxamide (CID 125165824) is 2,5-dimethyl-N-[1-[[(2R)-oxolan-2-yl]methyl]piperidin-4-yl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2,5-dimethyl-N-[1-[[(2R)-oxolan-2-yl]methyl]piperidin-4-yl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2,5-dimethyl-N-[1-[[(2R)-oxolan-2-yl]methyl]piperidin-4-yl]-1,3-thiazole-4-carboxamide is Cc1nc(C(=O)NC2CCN(C[C@H]3CCCO3)CC2)c(C)s1.
What is the InChIKey of 2,5-dimethyl-N-[1-[[(2R)-oxolan-2-yl]methyl]piperidin-4-yl]-1,3-thiazole-4-carboxamide?
The InChIKey is DTFBAHRZIDXPGD-CQSZACIVSA-N. The full InChI is InChI=1S/C16H25N3O2S/c1-11-15(17-12(2)22-11)16(20)18-13-5-7-19(8-6-13)10-14-4-3-9-21-14/h13-14H,3-10H2,1-2H3,(H,18,20)/t14-/m1/s1.
What are the key properties of 2,5-dimethyl-N-[1-[[(2R)-oxolan-2-yl]methyl]piperidin-4-yl]-1,3-thiazole-4-carboxamide?
2,5-dimethyl-N-[1-[[(2R)-oxolan-2-yl]methyl]piperidin-4-yl]-1,3-thiazole-4-carboxamide has a molecular weight of 323.46 g/mol, XLogP of 2.13, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-N-[1-[[(2R)-oxolan-2-yl]methyl]piperidin-4-yl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 125165824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).