N-(5-hydroxy-4-methylpentyl)-4-methyl-2-thiophen-2-yl-1,3-thiazole-5-carboxamide

C15H20N2O2S2 — CID 103861966

IUPACN-(5-hydroxy-4-methylpentyl)-4-methyl-2-thiophen-2-yl-1,3-thiazole-5-carboxamide
SMILESCc1nc(-c2cccs2)sc1C(=O)NCCCC(C)CO
InChIInChI=1S/C15H20N2O2S2/c1-10(9-18)5-3-7-16-14(19)13-11(2)17-15(21-13)12-6-4-8-20-12/h4,6,8,10,18H,3,5,7,9H2,1-2H3,(H,16,19)
InChIKeyTWSZNBJQWVUCIE-UHFFFAOYSA-N
MW324.47 g/mol
LogP3.32
Rot. Bonds7

About N-(5-hydroxy-4-methylpentyl)-4-methyl-2-thiophen-2-yl-1,3-thiazole-5-carboxamide

N-(5-hydroxy-4-methylpentyl)-4-methyl-2-thiophen-2-yl-1,3-thiazole-5-carboxamide (PubChem CID 103861966) has the molecular formula C15H20N2O2S2 and a molecular weight of 324.47 g/mol. Its IUPAC name is N-(5-hydroxy-4-methylpentyl)-4-methyl-2-thiophen-2-yl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-(5-hydroxy-4-methylpentyl)-4-methyl-2-thiophen-2-yl-1,3-thiazole-5-carboxamide
PubChem CID103861966
Molecular FormulaC15H20N2O2S2
Molecular Weight324.47 g/mol
Exact Mass324.10
IUPAC NameN-(5-hydroxy-4-methylpentyl)-4-methyl-2-thiophen-2-yl-1,3-thiazole-5-carboxamide
SMILESCc1nc(-c2cccs2)sc1C(=O)NCCCC(C)CO
InChIInChI=1S/C15H20N2O2S2/c1-10(9-18)5-3-7-16-14(19)13-11(2)17-15(21-13)12-6-4-8-20-12/h4,6,8,10,18H,3,5,7,9H2,1-2H3,(H,16,19)
InChIKeyTWSZNBJQWVUCIE-UHFFFAOYSA-N
XLogP3.32
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.47
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(5-hydroxy-4-methylpentyl)-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetamide
CID 103861890
N-[3-(1,3-benzothiazol-2-yl)propyl]-4-methyl-2-thiophen-2-yl-1,3-thiazole-5-carboxamide
CID 41247806
4-methyl-N-(pyridin-4-ylmethyl)-2-thiophen-2-yl-1,3-thiazole-5-carboxamide
CID 86911102
4-methyl-2-thiophen-2-yl-N-[5-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)pentyl]-1,3-thiazole-5-carboxamide
CID 24517351
N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-4-methyl-2-thiophen-2-yl-1,3-thiazole-5-carboxamide
CID 121122679
2-methoxy-3-[(4-methyl-2-thiophen-2-yl-1,3-thiazole-5-carbonyl)amino]propanoic acid
CID 106107082
N-[2-(3-chlorophenyl)ethyl]-4-methyl-2-thiophen-2-yl-1,3-thiazole-5-carboxamide
CID 134048088
(2S)-2-[(4-methyl-2-thiophen-2-yl-1,3-thiazole-5-carbonyl)amino]pentanoic acid
CID 107563777
N-[(2R)-2-(4-chlorophenyl)-2-hydroxyethyl]-4-methyl-2-thiophen-2-yl-1,3-thiazole-5-carboxamide
CID 39985317
N-[2-(4-chlorophenyl)-2-hydroxyethyl]-4-methyl-2-thiophen-2-yl-1,3-thiazole-5-carboxamide
CID 42947638
4-methyl-N-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methyl]-2-thiophen-2-yl-1,3-thiazole-5-carboxamide
CID 90546415
N-(1-adamantylmethyl)-4-methyl-2-thiophen-2-yl-1,3-thiazole-5-carboxamide
CID 18284901

Frequently Asked Questions

What is the IUPAC name of N-(5-hydroxy-4-methylpentyl)-4-methyl-2-thiophen-2-yl-1,3-thiazole-5-carboxamide?
The IUPAC name of N-(5-hydroxy-4-methylpentyl)-4-methyl-2-thiophen-2-yl-1,3-thiazole-5-carboxamide (CID 103861966) is N-(5-hydroxy-4-methylpentyl)-4-methyl-2-thiophen-2-yl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-(5-hydroxy-4-methylpentyl)-4-methyl-2-thiophen-2-yl-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-(5-hydroxy-4-methylpentyl)-4-methyl-2-thiophen-2-yl-1,3-thiazole-5-carboxamide is Cc1nc(-c2cccs2)sc1C(=O)NCCCC(C)CO.
What is the InChIKey of N-(5-hydroxy-4-methylpentyl)-4-methyl-2-thiophen-2-yl-1,3-thiazole-5-carboxamide?
The InChIKey is TWSZNBJQWVUCIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2S2/c1-10(9-18)5-3-7-16-14(19)13-11(2)17-15(21-13)12-6-4-8-20-12/h4,6,8,10,18H,3,5,7,9H2,1-2H3,(H,16,19).
What are the key properties of N-(5-hydroxy-4-methylpentyl)-4-methyl-2-thiophen-2-yl-1,3-thiazole-5-carboxamide?
N-(5-hydroxy-4-methylpentyl)-4-methyl-2-thiophen-2-yl-1,3-thiazole-5-carboxamide has a molecular weight of 324.47 g/mol, XLogP of 3.32, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-hydroxy-4-methylpentyl)-4-methyl-2-thiophen-2-yl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 103861966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).