N-[[1-[(5-methylfuran-2-yl)methyl]piperidin-4-yl]methyl]-2-propyl-1,3-thiazole-4-carboxamide

C19H27N3O2S — CID 72867403

IUPACN-[[1-[(5-methylfuran-2-yl)methyl]piperidin-4-yl]methyl]-2-propyl-1,3-thiazole-4-carboxamide
SMILESCCCc1nc(C(=O)NCC2CCN(Cc3ccc(C)o3)CC2)cs1
InChIInChI=1S/C19H27N3O2S/c1-3-4-18-21-17(13-25-18)19(23)20-11-15-7-9-22(10-8-15)12-16-6-5-14(2)24-16/h5-6,13,15H,3-4,7-12H2,1-2H3,(H,20,23)
InChIKeyNVBVRGPAOFOGKG-UHFFFAOYSA-N
MW361.51 g/mol
LogP3.64
Rot. Bonds7

About N-[[1-[(5-methylfuran-2-yl)methyl]piperidin-4-yl]methyl]-2-propyl-1,3-thiazole-4-carboxamide

N-[[1-[(5-methylfuran-2-yl)methyl]piperidin-4-yl]methyl]-2-propyl-1,3-thiazole-4-carboxamide (PubChem CID 72867403) has the molecular formula C19H27N3O2S and a molecular weight of 361.51 g/mol. Its IUPAC name is N-[[1-[(5-methylfuran-2-yl)methyl]piperidin-4-yl]methyl]-2-propyl-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-[[1-[(5-methylfuran-2-yl)methyl]piperidin-4-yl]methyl]-2-propyl-1,3-thiazole-4-carboxamide
PubChem CID72867403
Molecular FormulaC19H27N3O2S
Molecular Weight361.51 g/mol
Exact Mass361.18
IUPAC NameN-[[1-[(5-methylfuran-2-yl)methyl]piperidin-4-yl]methyl]-2-propyl-1,3-thiazole-4-carboxamide
SMILESCCCc1nc(C(=O)NCC2CCN(Cc3ccc(C)o3)CC2)cs1
InChIInChI=1S/C19H27N3O2S/c1-3-4-18-21-17(13-25-18)19(23)20-11-15-7-9-22(10-8-15)12-16-6-5-14(2)24-16/h5-6,13,15H,3-4,7-12H2,1-2H3,(H,20,23)
InChIKeyNVBVRGPAOFOGKG-UHFFFAOYSA-N
XLogP3.64
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.51
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[[1-[(5-methylfuran-2-yl)methyl]piperidin-4-yl]methyl]-2-propyl-1,3-thiazole-4-carboxamide with MolForge

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Related Compounds

N-[2-(5-methylfuran-2-yl)ethyl]-2-propyl-1,3-thiazole-4-carboxamide
CID 72853939
2-(aminomethyl)-N-[[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]methyl]-1,3-thiazole-4-carboxamide
CID 119865544
N-[[1-[(5-methylfuran-2-yl)methyl]piperidin-4-yl]methyl]ethanamine
CID 54793664
2-(2-aminoethyl)-N-[(1-benzylpiperidin-4-yl)methyl]-1,3-thiazole-4-carboxamide;dihydrochloride
CID 120645364
2-(aminomethyl)-N-[(5-methylfuran-2-yl)methyl]-1,3-thiazole-4-carboxamide
CID 66376144
2-[(4-benzylpiperidin-1-yl)methyl]-N-ethyl-1,3-thiazole-4-carboxamide
CID 46043708
1,3-dimethyl-N-[[1-[(5-methylfuran-2-yl)methyl]piperidin-4-yl]methyl]-2,6-dioxopyrimidine-4-carboxamide
CID 72914217
6-bromo-N-[(1-ethylpiperidin-4-yl)methyl]pyridine-2-carboxamide
CID 103916767
N-[(3S)-1-benzylpyrrolidin-3-yl]-2-propyl-1,3-thiazole-4-carboxamide
CID 72893525
2-(1-methylpyrazol-4-yl)-N-[(1-propylpiperidin-4-yl)methyl]-1,3-thiazole-4-carboxamide
CID 51101862
2-(aminomethyl)-N-(cyclooctylmethyl)-1,3-thiazole-4-carboxamide
CID 119741882
3-[1-[(5-methylfuran-2-yl)methyl]piperidin-4-yl]propanoic acid
CID 62218058

Frequently Asked Questions

What is the IUPAC name of N-[[1-[(5-methylfuran-2-yl)methyl]piperidin-4-yl]methyl]-2-propyl-1,3-thiazole-4-carboxamide?
The IUPAC name of N-[[1-[(5-methylfuran-2-yl)methyl]piperidin-4-yl]methyl]-2-propyl-1,3-thiazole-4-carboxamide (CID 72867403) is N-[[1-[(5-methylfuran-2-yl)methyl]piperidin-4-yl]methyl]-2-propyl-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-[[1-[(5-methylfuran-2-yl)methyl]piperidin-4-yl]methyl]-2-propyl-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-[[1-[(5-methylfuran-2-yl)methyl]piperidin-4-yl]methyl]-2-propyl-1,3-thiazole-4-carboxamide is CCCc1nc(C(=O)NCC2CCN(Cc3ccc(C)o3)CC2)cs1.
What is the InChIKey of N-[[1-[(5-methylfuran-2-yl)methyl]piperidin-4-yl]methyl]-2-propyl-1,3-thiazole-4-carboxamide?
The InChIKey is NVBVRGPAOFOGKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O2S/c1-3-4-18-21-17(13-25-18)19(23)20-11-15-7-9-22(10-8-15)12-16-6-5-14(2)24-16/h5-6,13,15H,3-4,7-12H2,1-2H3,(H,20,23).
What are the key properties of N-[[1-[(5-methylfuran-2-yl)methyl]piperidin-4-yl]methyl]-2-propyl-1,3-thiazole-4-carboxamide?
N-[[1-[(5-methylfuran-2-yl)methyl]piperidin-4-yl]methyl]-2-propyl-1,3-thiazole-4-carboxamide has a molecular weight of 361.51 g/mol, XLogP of 3.64, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[(5-methylfuran-2-yl)methyl]piperidin-4-yl]methyl]-2-propyl-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 72867403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).