3-bromo-5-methoxy-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]-4-propoxybenzamide

C20H26BrN3O3S — CID 30134855

IUPAC3-bromo-5-methoxy-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]-4-propoxybenzamide
SMILESCCCOc1c(Br)cc(C(=O)Nc2nc(CN3CCCCC3)cs2)cc1OC
InChIInChI=1S/C20H26BrN3O3S/c1-3-9-27-18-16(21)10-14(11-17(18)26-2)19(25)23-20-22-15(13-28-20)12-24-7-5-4-6-8-24/h10-11,13H,3-9,12H2,1-2H3,(H,22,23,25)
InChIKeyKYENECLVXNRQSR-UHFFFAOYSA-N
MW468.42 g/mol
LogP4.94
Rot. Bonds8

About 3-bromo-5-methoxy-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]-4-propoxybenzamide

3-bromo-5-methoxy-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]-4-propoxybenzamide (PubChem CID 30134855) has the molecular formula C20H26BrN3O3S and a molecular weight of 468.42 g/mol. Its IUPAC name is 3-bromo-5-methoxy-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]-4-propoxybenzamide.

Molecular Properties

Compound Name3-bromo-5-methoxy-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]-4-propoxybenzamide
PubChem CID30134855
Molecular FormulaC20H26BrN3O3S
Molecular Weight468.42 g/mol
Exact Mass467.09
IUPAC Name3-bromo-5-methoxy-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]-4-propoxybenzamide
SMILESCCCOc1c(Br)cc(C(=O)Nc2nc(CN3CCCCC3)cs2)cc1OC
InChIInChI=1S/C20H26BrN3O3S/c1-3-9-27-18-16(21)10-14(11-17(18)26-2)19(25)23-20-22-15(13-28-20)12-24-7-5-4-6-8-24/h10-11,13H,3-9,12H2,1-2H3,(H,22,23,25)
InChIKeyKYENECLVXNRQSR-UHFFFAOYSA-N
XLogP4.94
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.42
LogP ≤ 54.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-methoxy-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]benzamide
CID 30182781
4-butoxy-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]benzamide
CID 30183318
3-bromo-5-methoxy-4-propoxy-N-(1,3-thiazol-2-yl)benzamide
CID 4797157
3-bromo-5-methoxy-N-(5-methyl-1,3,4-thiadiazol-2-yl)-4-propoxybenzamide
CID 18076244
3,4-dimethoxy-N-[4-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-5-[(E)-prop-1-enyl]benzamide
CID 24611027
4,5-dibromo-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]thiophene-2-carboxamide
CID 30135053
3-bromo-5-methoxy-N-[2-(piperidine-1-carbonyl)phenyl]-4-propoxybenzamide
CID 35275154
3-bromo-N-[4-[[(3S,5R)-3,5-dimethylpiperidin-1-yl]methyl]-1,3-thiazol-2-yl]-4-methoxybenzamide
CID 30190736
3-bromo-N-[4-[[(3R,5R)-3,5-dimethylpiperidin-1-yl]methyl]-1,3-thiazol-2-yl]-4-methoxybenzamide
CID 30190739
3-[[4-(azepan-1-ylmethyl)-1,3-thiazol-2-yl]carbamoyl]benzoic acid
CID 138001675
N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]naphthalene-2-carboxamide
CID 17477064
3-bromo-N-(4,5-dihydro-1,3-thiazol-2-yl)-5-methoxy-4-propoxybenzamide
CID 17391545

Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-methoxy-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]-4-propoxybenzamide?
The IUPAC name of 3-bromo-5-methoxy-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]-4-propoxybenzamide (CID 30134855) is 3-bromo-5-methoxy-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]-4-propoxybenzamide.
What is the SMILES notation for 3-bromo-5-methoxy-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]-4-propoxybenzamide?
The canonical SMILES for 3-bromo-5-methoxy-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]-4-propoxybenzamide is CCCOc1c(Br)cc(C(=O)Nc2nc(CN3CCCCC3)cs2)cc1OC.
What is the InChIKey of 3-bromo-5-methoxy-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]-4-propoxybenzamide?
The InChIKey is KYENECLVXNRQSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26BrN3O3S/c1-3-9-27-18-16(21)10-14(11-17(18)26-2)19(25)23-20-22-15(13-28-20)12-24-7-5-4-6-8-24/h10-11,13H,3-9,12H2,1-2H3,(H,22,23,25).
What are the key properties of 3-bromo-5-methoxy-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]-4-propoxybenzamide?
3-bromo-5-methoxy-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]-4-propoxybenzamide has a molecular weight of 468.42 g/mol, XLogP of 4.94, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-methoxy-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]-4-propoxybenzamide is sourced from PubChem (CID 30134855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).