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

C21H25N5OS — CID 30191375

IUPACN-[4-[[(3S,5S)-3,5-dimethylpiperidin-1-yl]methyl]-1,3-thiazol-2-yl]-1-phenylpyrazole-4-carboxamide
SMILESC[C@H]1C[C@H](C)CN(Cc2csc(NC(=O)c3cnn(-c4ccccc4)c3)n2)C1
InChIInChI=1S/C21H25N5OS/c1-15-8-16(2)11-25(10-15)13-18-14-28-21(23-18)24-20(27)17-9-22-26(12-17)19-6-4-3-5-7-19/h3-7,9,12,14-16H,8,10-11,13H2,1-2H3,(H,23,24,27)/t15-,16-/m0/s1
InChIKeyDPSBJBIVVFTDOI-HOTGVXAUSA-N
MW395.53 g/mol
LogP4.06
Rot. Bonds5

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

N-[4-[[(3S,5S)-3,5-dimethylpiperidin-1-yl]methyl]-1,3-thiazol-2-yl]-1-phenylpyrazole-4-carboxamide (PubChem CID 30191375) has the molecular formula C21H25N5OS and a molecular weight of 395.53 g/mol. Its IUPAC name is N-[4-[[(3S,5S)-3,5-dimethylpiperidin-1-yl]methyl]-1,3-thiazol-2-yl]-1-phenylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[4-[[(3S,5S)-3,5-dimethylpiperidin-1-yl]methyl]-1,3-thiazol-2-yl]-1-phenylpyrazole-4-carboxamide
PubChem CID30191375
Molecular FormulaC21H25N5OS
Molecular Weight395.53 g/mol
Exact Mass395.18
IUPAC NameN-[4-[[(3S,5S)-3,5-dimethylpiperidin-1-yl]methyl]-1,3-thiazol-2-yl]-1-phenylpyrazole-4-carboxamide
SMILESC[C@H]1C[C@H](C)CN(Cc2csc(NC(=O)c3cnn(-c4ccccc4)c3)n2)C1
InChIInChI=1S/C21H25N5OS/c1-15-8-16(2)11-25(10-15)13-18-14-28-21(23-18)24-20(27)17-9-22-26(12-17)19-6-4-3-5-7-19/h3-7,9,12,14-16H,8,10-11,13H2,1-2H3,(H,23,24,27)/t15-,16-/m0/s1
InChIKeyDPSBJBIVVFTDOI-HOTGVXAUSA-N
XLogP4.06
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.53
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

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-[3-[[4-[(3,5-dimethylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]amino]-3-oxopropyl]benzamide
CID 42933420
N-[4-[[(3S,5S)-3,5-dimethylpiperidin-1-yl]methyl]-1,3-thiazol-2-yl]furan-2-carboxamide
CID 30188976
N-[4-[[(3R,5S)-3,5-dimethylpiperidin-1-yl]methyl]-1,3-thiazol-2-yl]furan-2-carboxamide
CID 30188973
N-[4-[(3,5-dimethylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-4-(methylsulfonylmethyl)benzamide
CID 46699117
N-[4-[[(3R,5R)-3,5-dimethylpiperidin-1-yl]methyl]-1,3-thiazol-2-yl]-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide
CID 25474469
N-[4-[[4-[(3,5-dimethylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]carbamoyl]phenyl]furan-2-carboxamide
CID 24611223
N-[4-[[4-[[(3R,5R)-3,5-dimethylpiperidin-1-yl]methyl]-1,3-thiazol-2-yl]carbamoyl]phenyl]furan-2-carboxamide
CID 25468282
5-chloro-N-[4-[(3,5-dimethylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide
CID 43041573
3-bromo-N-[4-[[(3R,5R)-3,5-dimethylpiperidin-1-yl]methyl]-1,3-thiazol-2-yl]-4-methoxybenzamide
CID 30190739
3-bromo-N-[4-[[(3S,5R)-3,5-dimethylpiperidin-1-yl]methyl]-1,3-thiazol-2-yl]-4-methoxybenzamide
CID 30190736

Frequently Asked Questions

What is the IUPAC name of N-[4-[[(3S,5S)-3,5-dimethylpiperidin-1-yl]methyl]-1,3-thiazol-2-yl]-1-phenylpyrazole-4-carboxamide?
The IUPAC name of N-[4-[[(3S,5S)-3,5-dimethylpiperidin-1-yl]methyl]-1,3-thiazol-2-yl]-1-phenylpyrazole-4-carboxamide (CID 30191375) is N-[4-[[(3S,5S)-3,5-dimethylpiperidin-1-yl]methyl]-1,3-thiazol-2-yl]-1-phenylpyrazole-4-carboxamide.
What is the SMILES notation for N-[4-[[(3S,5S)-3,5-dimethylpiperidin-1-yl]methyl]-1,3-thiazol-2-yl]-1-phenylpyrazole-4-carboxamide?
The canonical SMILES for N-[4-[[(3S,5S)-3,5-dimethylpiperidin-1-yl]methyl]-1,3-thiazol-2-yl]-1-phenylpyrazole-4-carboxamide is C[C@H]1C[C@H](C)CN(Cc2csc(NC(=O)c3cnn(-c4ccccc4)c3)n2)C1.
What is the InChIKey of N-[4-[[(3S,5S)-3,5-dimethylpiperidin-1-yl]methyl]-1,3-thiazol-2-yl]-1-phenylpyrazole-4-carboxamide?
The InChIKey is DPSBJBIVVFTDOI-HOTGVXAUSA-N. The full InChI is InChI=1S/C21H25N5OS/c1-15-8-16(2)11-25(10-15)13-18-14-28-21(23-18)24-20(27)17-9-22-26(12-17)19-6-4-3-5-7-19/h3-7,9,12,14-16H,8,10-11,13H2,1-2H3,(H,23,24,27)/t15-,16-/m0/s1.
What are the key properties of N-[4-[[(3S,5S)-3,5-dimethylpiperidin-1-yl]methyl]-1,3-thiazol-2-yl]-1-phenylpyrazole-4-carboxamide?
N-[4-[[(3S,5S)-3,5-dimethylpiperidin-1-yl]methyl]-1,3-thiazol-2-yl]-1-phenylpyrazole-4-carboxamide has a molecular weight of 395.53 g/mol, XLogP of 4.06, 5 rotatable bonds, 1 hydrogen bond donors, and 6 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]-1-phenylpyrazole-4-carboxamide is sourced from PubChem (CID 30191375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).