N-[4-(methylaminomethyl)-1,3-thiazol-2-yl]-3-propan-2-yloxy-5-(thiophen-3-ylmethoxymethyl)benzamide

C21H25N3O3S2 — CID 59735829

IUPACN-[4-(methylaminomethyl)-1,3-thiazol-2-yl]-3-propan-2-yloxy-5-(thiophen-3-ylmethoxymethyl)benzamide
SMILESCNCc1csc(NC(=O)c2cc(COCc3ccsc3)cc(OC(C)C)c2)n1
InChIInChI=1S/C21H25N3O3S2/c1-14(2)27-19-7-16(11-26-10-15-4-5-28-12-15)6-17(8-19)20(25)24-21-23-18(9-22-3)13-29-21/h4-8,12-14,22H,9-11H2,1-3H3,(H,23,24,25)
InChIKeyYPWIMJNUXOUJCQ-UHFFFAOYSA-N
MW431.58 g/mol
LogP4.68
Rot. Bonds10

About N-[4-(methylaminomethyl)-1,3-thiazol-2-yl]-3-propan-2-yloxy-5-(thiophen-3-ylmethoxymethyl)benzamide

N-[4-(methylaminomethyl)-1,3-thiazol-2-yl]-3-propan-2-yloxy-5-(thiophen-3-ylmethoxymethyl)benzamide (PubChem CID 59735829) has the molecular formula C21H25N3O3S2 and a molecular weight of 431.58 g/mol. Its IUPAC name is N-[4-(methylaminomethyl)-1,3-thiazol-2-yl]-3-propan-2-yloxy-5-(thiophen-3-ylmethoxymethyl)benzamide.

Molecular Properties

Compound NameN-[4-(methylaminomethyl)-1,3-thiazol-2-yl]-3-propan-2-yloxy-5-(thiophen-3-ylmethoxymethyl)benzamide
PubChem CID59735829
Molecular FormulaC21H25N3O3S2
Molecular Weight431.58 g/mol
Exact Mass431.13
IUPAC NameN-[4-(methylaminomethyl)-1,3-thiazol-2-yl]-3-propan-2-yloxy-5-(thiophen-3-ylmethoxymethyl)benzamide
SMILESCNCc1csc(NC(=O)c2cc(COCc3ccsc3)cc(OC(C)C)c2)n1
InChIInChI=1S/C21H25N3O3S2/c1-14(2)27-19-7-16(11-26-10-15-4-5-28-12-15)6-17(8-19)20(25)24-21-23-18(9-22-3)13-29-21/h4-8,12-14,22H,9-11H2,1-3H3,(H,23,24,25)
InChIKeyYPWIMJNUXOUJCQ-UHFFFAOYSA-N
XLogP4.68
TPSA72.48 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.58
LogP ≤ 54.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

3-(2-methylpropoxy)-N-[4-(methylsulfanylmethyl)-1,3-thiazol-2-yl]-5-propan-2-yloxybenzamide
CID 59735852
3-hydroxy-5-[(2S)-1-hydroxypropan-2-yl]oxy-N-[4-(methoxymethyl)-1,3-thiazol-2-yl]benzamide
CID 59346912
2-[2-(methylamino)-1,3-thiazol-4-yl]-N-(4-propan-2-yloxyphenyl)acetamide
CID 110386278
2-[2-[[2-(1-phenylpropan-2-yloxy)-6-propan-2-yloxypyridine-4-carbonyl]amino]-1,3-thiazol-4-yl]acetic acid
CID 87419918
3-[(4-methylpiperazin-1-yl)methyl]-5-propan-2-yloxy-N-(1,3-thiazol-2-yl)benzamide
CID 59736078
N-[4-[2-[methyl(thiophen-3-ylmethyl)amino]-2-oxoethyl]-1,3-thiazol-2-yl]benzamide
CID 18163531
3,5-dimethoxy-N-[4-[2-oxo-2-(1-phenylethylamino)ethyl]-1,3-thiazol-2-yl]benzamide
CID 18568059
4-[2-(thiophene-3-carbonylamino)-1,3-thiazol-4-yl]butanoic acid
CID 80656589
2-[[3-(2-phenylmethoxyethylamino)-5-propan-2-yloxybenzoyl]amino]-1,3-thiazole-5-carboxylic acid
CID 59735907
N-[4-(diethoxyphosphorylmethyl)-1,3-thiazol-2-yl]-3-propan-2-yloxy-5-[(3R)-pyrrolidin-3-yl]oxybenzamide
CID 58265915
ethoxy-oxo-[[6-[[3-propan-2-yloxy-5-(2-thiophen-3-ylethoxy)benzoyl]amino]-3-pyridinyl]methyl]phosphanium
CID 67490617
N-[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]-4-propan-2-yloxybenzamide
CID 4062415

Frequently Asked Questions

What is the IUPAC name of N-[4-(methylaminomethyl)-1,3-thiazol-2-yl]-3-propan-2-yloxy-5-(thiophen-3-ylmethoxymethyl)benzamide?
The IUPAC name of N-[4-(methylaminomethyl)-1,3-thiazol-2-yl]-3-propan-2-yloxy-5-(thiophen-3-ylmethoxymethyl)benzamide (CID 59735829) is N-[4-(methylaminomethyl)-1,3-thiazol-2-yl]-3-propan-2-yloxy-5-(thiophen-3-ylmethoxymethyl)benzamide.
What is the SMILES notation for N-[4-(methylaminomethyl)-1,3-thiazol-2-yl]-3-propan-2-yloxy-5-(thiophen-3-ylmethoxymethyl)benzamide?
The canonical SMILES for N-[4-(methylaminomethyl)-1,3-thiazol-2-yl]-3-propan-2-yloxy-5-(thiophen-3-ylmethoxymethyl)benzamide is CNCc1csc(NC(=O)c2cc(COCc3ccsc3)cc(OC(C)C)c2)n1.
What is the InChIKey of N-[4-(methylaminomethyl)-1,3-thiazol-2-yl]-3-propan-2-yloxy-5-(thiophen-3-ylmethoxymethyl)benzamide?
The InChIKey is YPWIMJNUXOUJCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O3S2/c1-14(2)27-19-7-16(11-26-10-15-4-5-28-12-15)6-17(8-19)20(25)24-21-23-18(9-22-3)13-29-21/h4-8,12-14,22H,9-11H2,1-3H3,(H,23,24,25).
What are the key properties of N-[4-(methylaminomethyl)-1,3-thiazol-2-yl]-3-propan-2-yloxy-5-(thiophen-3-ylmethoxymethyl)benzamide?
N-[4-(methylaminomethyl)-1,3-thiazol-2-yl]-3-propan-2-yloxy-5-(thiophen-3-ylmethoxymethyl)benzamide has a molecular weight of 431.58 g/mol, XLogP of 4.68, 10 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(methylaminomethyl)-1,3-thiazol-2-yl]-3-propan-2-yloxy-5-(thiophen-3-ylmethoxymethyl)benzamide is sourced from PubChem (CID 59735829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).