N-(4-hydroxy-2,2-dimethylpentyl)-2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]acetamide

C19H26N2O2S — CID 111479879

IUPACN-(4-hydroxy-2,2-dimethylpentyl)-2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]acetamide
SMILESCc1nc(-c2ccc(CC(=O)NCC(C)(C)CC(C)O)cc2)cs1
InChIInChI=1S/C19H26N2O2S/c1-13(22)10-19(3,4)12-20-18(23)9-15-5-7-16(8-6-15)17-11-24-14(2)21-17/h5-8,11,13,22H,9-10,12H2,1-4H3,(H,20,23)
InChIKeyVPWYUOIUNWCPHB-UHFFFAOYSA-N
MW346.50 g/mol
LogP3.57
Rot. Bonds7

About N-(4-hydroxy-2,2-dimethylpentyl)-2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]acetamide

N-(4-hydroxy-2,2-dimethylpentyl)-2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]acetamide (PubChem CID 111479879) has the molecular formula C19H26N2O2S and a molecular weight of 346.50 g/mol. Its IUPAC name is N-(4-hydroxy-2,2-dimethylpentyl)-2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]acetamide.

Molecular Properties

Compound NameN-(4-hydroxy-2,2-dimethylpentyl)-2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]acetamide
PubChem CID111479879
Molecular FormulaC19H26N2O2S
Molecular Weight346.50 g/mol
Exact Mass346.17
IUPAC NameN-(4-hydroxy-2,2-dimethylpentyl)-2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]acetamide
SMILESCc1nc(-c2ccc(CC(=O)NCC(C)(C)CC(C)O)cc2)cs1
InChIInChI=1S/C19H26N2O2S/c1-13(22)10-19(3,4)12-20-18(23)9-15-5-7-16(8-6-15)17-11-24-14(2)21-17/h5-8,11,13,22H,9-10,12H2,1-4H3,(H,20,23)
InChIKeyVPWYUOIUNWCPHB-UHFFFAOYSA-N
XLogP3.57
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.50
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-hydroxy-2,3-dimethylbutyl)-2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]acetamide
CID 111483702
N-(2-cyclopentyl-2-hydroxyethyl)-2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]acetamide
CID 111426293
3-methyl-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]butanamide
CID 51248570
2-[4-[[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]acetyl]amino]phenyl]acetamide
CID 31862065
3-chloro-2,2-dimethyl-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]propanamide
CID 108749621
(2S)-2-amino-3,3-dimethyl-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]butanamide;dihydrochloride
CID 119837217
2-chloro-N,N-dimethyl-5-[[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]acetyl]amino]benzamide
CID 55674815
2-methylsulfanyl-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]acetamide
CID 47121427
2-(2-methoxyethoxy)-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]acetamide
CID 108725440
2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-N-[4-(prop-2-enylcarbamoylamino)phenyl]acetamide
CID 46545817
4-(4-ethylphenyl)-2-methyl-1,3-thiazole
CID 19240269
N-hydroxy-4-(2-methyl-1,3-thiazol-4-yl)benzamide
CID 167927329

Frequently Asked Questions

What is the IUPAC name of N-(4-hydroxy-2,2-dimethylpentyl)-2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]acetamide?
The IUPAC name of N-(4-hydroxy-2,2-dimethylpentyl)-2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]acetamide (CID 111479879) is N-(4-hydroxy-2,2-dimethylpentyl)-2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]acetamide.
What is the SMILES notation for N-(4-hydroxy-2,2-dimethylpentyl)-2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]acetamide?
The canonical SMILES for N-(4-hydroxy-2,2-dimethylpentyl)-2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]acetamide is Cc1nc(-c2ccc(CC(=O)NCC(C)(C)CC(C)O)cc2)cs1.
What is the InChIKey of N-(4-hydroxy-2,2-dimethylpentyl)-2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]acetamide?
The InChIKey is VPWYUOIUNWCPHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O2S/c1-13(22)10-19(3,4)12-20-18(23)9-15-5-7-16(8-6-15)17-11-24-14(2)21-17/h5-8,11,13,22H,9-10,12H2,1-4H3,(H,20,23).
What are the key properties of N-(4-hydroxy-2,2-dimethylpentyl)-2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]acetamide?
N-(4-hydroxy-2,2-dimethylpentyl)-2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]acetamide has a molecular weight of 346.50 g/mol, XLogP of 3.57, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-hydroxy-2,2-dimethylpentyl)-2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]acetamide is sourced from PubChem (CID 111479879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).