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

C19H23N5O2S — CID 164635879

IUPACN-[[(3R)-1-(2,1,3-benzoxadiazol-4-ylmethyl)piperidin-3-yl]methyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide
SMILESCc1nc(C)c(C(=O)NC[C@H]2CCCN(Cc3cccc4nonc34)C2)s1
InChIInChI=1S/C19H23N5O2S/c1-12-18(27-13(2)21-12)19(25)20-9-14-5-4-8-24(10-14)11-15-6-3-7-16-17(15)23-26-22-16/h3,6-7,14H,4-5,8-11H2,1-2H3,(H,20,25)/t14-/m1/s1
InChIKeyDTLUVWCZVQKZQA-CQSZACIVSA-N
MW385.49 g/mol
LogP2.94
Rot. Bonds5

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

N-[[(3R)-1-(2,1,3-benzoxadiazol-4-ylmethyl)piperidin-3-yl]methyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide (PubChem CID 164635879) has the molecular formula C19H23N5O2S and a molecular weight of 385.49 g/mol. Its IUPAC name is N-[[(3R)-1-(2,1,3-benzoxadiazol-4-ylmethyl)piperidin-3-yl]methyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-[[(3R)-1-(2,1,3-benzoxadiazol-4-ylmethyl)piperidin-3-yl]methyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide
PubChem CID164635879
Molecular FormulaC19H23N5O2S
Molecular Weight385.49 g/mol
Exact Mass385.16
IUPAC NameN-[[(3R)-1-(2,1,3-benzoxadiazol-4-ylmethyl)piperidin-3-yl]methyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide
SMILESCc1nc(C)c(C(=O)NC[C@H]2CCCN(Cc3cccc4nonc34)C2)s1
InChIInChI=1S/C19H23N5O2S/c1-12-18(27-13(2)21-12)19(25)20-9-14-5-4-8-24(10-14)11-15-6-3-7-16-17(15)23-26-22-16/h3,6-7,14H,4-5,8-11H2,1-2H3,(H,20,25)/t14-/m1/s1
InChIKeyDTLUVWCZVQKZQA-CQSZACIVSA-N
XLogP2.94
TPSA84.15 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.49
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[[(3R)-1-(2,1,3-benzoxadiazol-4-ylmethyl)piperidin-3-yl]methyl]-2-chlorobenzamide
CID 97285714
N-[[(3R)-1-(2,1,3-benzoxadiazol-4-ylmethyl)pyrrolidin-3-yl]methyl]-5-methyl-1H-imidazole-4-carboxamide
CID 95211325
N-[[(3S)-1-(2,1,3-benzoxadiazol-4-ylmethyl)piperidin-3-yl]methyl]-2-(2-methoxyphenoxy)acetamide
CID 42525815
3-[(3R)-1-(2,1,3-benzoxadiazol-4-ylmethyl)piperidin-3-yl]-N-(4-fluoro-2-methylphenyl)propanamide
CID 25364986
2,4-dimethyl-N-[2-[(3S)-3-methylpiperidin-1-yl]ethyl]-1,3-thiazole-5-carboxamide
CID 94115528
N-[[1-(2,1,3-benzoxadiazol-4-ylmethyl)pyrrolidin-3-yl]methyl]prop-2-ene-1-sulfonamide
CID 56741309
2-(4-methyl-2,3-dihydro-1,4-benzoxazin-2-yl)-N-[[(3S)-1-(naphthalen-1-ylmethyl)piperidin-3-yl]methyl]-1,3-thiazole-4-carboxamide
CID 11364262
[1-(2,1,3-benzoxadiazol-4-ylmethyl)piperidin-3-yl]-(3-propan-2-yloxyphenyl)methanone
CID 45211325
N-[[1-[(2-methyl-1,3-thiazol-5-yl)methyl]piperidin-3-yl]methyl]-4-phenylbenzamide
CID 45177344
5-methyl-N-[[1-[(2-methyl-1,3-thiazol-5-yl)methyl]piperidin-3-yl]methyl]-1,2-oxazole-3-carboxamide
CID 45170548
N-(2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-ylmethyl)-2,4-dimethyl-1,3-thiazole-5-carboxamide
CID 163091626
N-[(3-chlorocyclopentyl)methyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide
CID 106127337

Frequently Asked Questions

What is the IUPAC name of N-[[(3R)-1-(2,1,3-benzoxadiazol-4-ylmethyl)piperidin-3-yl]methyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide?
The IUPAC name of N-[[(3R)-1-(2,1,3-benzoxadiazol-4-ylmethyl)piperidin-3-yl]methyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide (CID 164635879) is N-[[(3R)-1-(2,1,3-benzoxadiazol-4-ylmethyl)piperidin-3-yl]methyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-[[(3R)-1-(2,1,3-benzoxadiazol-4-ylmethyl)piperidin-3-yl]methyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-[[(3R)-1-(2,1,3-benzoxadiazol-4-ylmethyl)piperidin-3-yl]methyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide is Cc1nc(C)c(C(=O)NC[C@H]2CCCN(Cc3cccc4nonc34)C2)s1.
What is the InChIKey of N-[[(3R)-1-(2,1,3-benzoxadiazol-4-ylmethyl)piperidin-3-yl]methyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide?
The InChIKey is DTLUVWCZVQKZQA-CQSZACIVSA-N. The full InChI is InChI=1S/C19H23N5O2S/c1-12-18(27-13(2)21-12)19(25)20-9-14-5-4-8-24(10-14)11-15-6-3-7-16-17(15)23-26-22-16/h3,6-7,14H,4-5,8-11H2,1-2H3,(H,20,25)/t14-/m1/s1.
What are the key properties of N-[[(3R)-1-(2,1,3-benzoxadiazol-4-ylmethyl)piperidin-3-yl]methyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide?
N-[[(3R)-1-(2,1,3-benzoxadiazol-4-ylmethyl)piperidin-3-yl]methyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide has a molecular weight of 385.49 g/mol, XLogP of 2.94, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(3R)-1-(2,1,3-benzoxadiazol-4-ylmethyl)piperidin-3-yl]methyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 164635879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).