N-[4-[[(3S,5S)-3,5-dimethylpiperidin-1-yl]methyl]-1,3-thiazol-2-yl]furan-2-carboxamide

C16H21N3O2S — CID 30188976

IUPACN-[4-[[(3S,5S)-3,5-dimethylpiperidin-1-yl]methyl]-1,3-thiazol-2-yl]furan-2-carboxamide
SMILESC[C@H]1C[C@H](C)CN(Cc2csc(NC(=O)c3ccco3)n2)C1
InChIInChI=1S/C16H21N3O2S/c1-11-6-12(2)8-19(7-11)9-13-10-22-16(17-13)18-15(20)14-4-3-5-21-14/h3-5,10-12H,6-9H2,1-2H3,(H,17,18,20)/t11-,12-/m0/s1
InChIKeyVAJZQINVLKGUKM-RYUDHWBXSA-N
MW319.43 g/mol
LogP3.47
Rot. Bonds4

About N-[4-[[(3S,5S)-3,5-dimethylpiperidin-1-yl]methyl]-1,3-thiazol-2-yl]furan-2-carboxamide

N-[4-[[(3S,5S)-3,5-dimethylpiperidin-1-yl]methyl]-1,3-thiazol-2-yl]furan-2-carboxamide (PubChem CID 30188976) has the molecular formula C16H21N3O2S and a molecular weight of 319.43 g/mol. Its IUPAC name is N-[4-[[(3S,5S)-3,5-dimethylpiperidin-1-yl]methyl]-1,3-thiazol-2-yl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[4-[[(3S,5S)-3,5-dimethylpiperidin-1-yl]methyl]-1,3-thiazol-2-yl]furan-2-carboxamide
PubChem CID30188976
Molecular FormulaC16H21N3O2S
Molecular Weight319.43 g/mol
Exact Mass319.14
IUPAC NameN-[4-[[(3S,5S)-3,5-dimethylpiperidin-1-yl]methyl]-1,3-thiazol-2-yl]furan-2-carboxamide
SMILESC[C@H]1C[C@H](C)CN(Cc2csc(NC(=O)c3ccco3)n2)C1
InChIInChI=1S/C16H21N3O2S/c1-11-6-12(2)8-19(7-11)9-13-10-22-16(17-13)18-15(20)14-4-3-5-21-14/h3-5,10-12H,6-9H2,1-2H3,(H,17,18,20)/t11-,12-/m0/s1
InChIKeyVAJZQINVLKGUKM-RYUDHWBXSA-N
XLogP3.47
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.43
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-[[(3R,5S)-3,5-dimethylpiperidin-1-yl]methyl]-1,3-thiazol-2-yl]furan-2-carboxamide
CID 30188973
N-[4-[[4-[[(3R,5R)-3,5-dimethylpiperidin-1-yl]methyl]-1,3-thiazol-2-yl]carbamoyl]phenyl]furan-2-carboxamide
CID 25468282
N-[4-[[4-[(3,5-dimethylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]carbamoyl]phenyl]furan-2-carboxamide
CID 24611223
N-[4-[[4-[[(3S,5S)-3,5-dimethylpiperidin-1-yl]methyl]-1,3-thiazol-2-yl]amino]-4-oxobutyl]furan-2-carboxamide
CID 30190106
N-[4-[2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-2-oxoethyl]-1,3-thiazol-2-yl]furan-2-carboxamide
CID 41227073
5-bromo-N-[4-[[(3R,5R)-3,5-dimethylpiperidin-1-yl]methyl]-1,3-thiazol-2-yl]furan-2-carboxamide
CID 30189317
N-(4-ethyl-1,3-thiazol-2-yl)furan-2-carboxamide
CID 87065618
N-[4-[[(3S,5S)-3,5-dimethylpiperidin-1-yl]methyl]-1,3-thiazol-2-yl]-3-methylbenzamide
CID 25487242
3-bromo-N-[4-[[(3R,5R)-3,5-dimethylpiperidin-1-yl]methyl]-1,3-thiazol-2-yl]benzamide
CID 30189111
N-[4-[2-oxo-2-[[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]amino]ethyl]-1,3-thiazol-2-yl]furan-2-carboxamide
CID 46699089
5-chloro-N-[4-[(3,5-dimethylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide
CID 43041573
N-[(2S)-1-[[4-[[(2R,6R)-2,6-dimethylmorpholin-4-yl]methyl]-1,3-thiazol-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide
CID 30196947

Frequently Asked Questions

What is the IUPAC name of N-[4-[[(3S,5S)-3,5-dimethylpiperidin-1-yl]methyl]-1,3-thiazol-2-yl]furan-2-carboxamide?
The IUPAC name of N-[4-[[(3S,5S)-3,5-dimethylpiperidin-1-yl]methyl]-1,3-thiazol-2-yl]furan-2-carboxamide (CID 30188976) is N-[4-[[(3S,5S)-3,5-dimethylpiperidin-1-yl]methyl]-1,3-thiazol-2-yl]furan-2-carboxamide.
What is the SMILES notation for N-[4-[[(3S,5S)-3,5-dimethylpiperidin-1-yl]methyl]-1,3-thiazol-2-yl]furan-2-carboxamide?
The canonical SMILES for N-[4-[[(3S,5S)-3,5-dimethylpiperidin-1-yl]methyl]-1,3-thiazol-2-yl]furan-2-carboxamide is C[C@H]1C[C@H](C)CN(Cc2csc(NC(=O)c3ccco3)n2)C1.
What is the InChIKey of N-[4-[[(3S,5S)-3,5-dimethylpiperidin-1-yl]methyl]-1,3-thiazol-2-yl]furan-2-carboxamide?
The InChIKey is VAJZQINVLKGUKM-RYUDHWBXSA-N. The full InChI is InChI=1S/C16H21N3O2S/c1-11-6-12(2)8-19(7-11)9-13-10-22-16(17-13)18-15(20)14-4-3-5-21-14/h3-5,10-12H,6-9H2,1-2H3,(H,17,18,20)/t11-,12-/m0/s1.
What are the key properties of N-[4-[[(3S,5S)-3,5-dimethylpiperidin-1-yl]methyl]-1,3-thiazol-2-yl]furan-2-carboxamide?
N-[4-[[(3S,5S)-3,5-dimethylpiperidin-1-yl]methyl]-1,3-thiazol-2-yl]furan-2-carboxamide has a molecular weight of 319.43 g/mol, XLogP of 3.47, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[(3S,5S)-3,5-dimethylpiperidin-1-yl]methyl]-1,3-thiazol-2-yl]furan-2-carboxamide is sourced from PubChem (CID 30188976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).