N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]nonanamide

C16H28N2OS — CID 56558069

IUPACN-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]nonanamide
SMILESCCCCCCCCC(=O)NCc1csc(C(C)C)n1
InChIInChI=1S/C16H28N2OS/c1-4-5-6-7-8-9-10-15(19)17-11-14-12-20-16(18-14)13(2)3/h12-13H,4-11H2,1-3H3,(H,17,19)
InChIKeyMAZIMJBSPZWGBF-UHFFFAOYSA-N
MW296.48 g/mol
LogP4.63
Rot. Bonds10

About N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]nonanamide

N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]nonanamide (PubChem CID 56558069) has the molecular formula C16H28N2OS and a molecular weight of 296.48 g/mol. Its IUPAC name is N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]nonanamide.

Molecular Properties

Compound NameN-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]nonanamide
PubChem CID56558069
Molecular FormulaC16H28N2OS
Molecular Weight296.48 g/mol
Exact Mass296.19
IUPAC NameN-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]nonanamide
SMILESCCCCCCCCC(=O)NCc1csc(C(C)C)n1
InChIInChI=1S/C16H28N2OS/c1-4-5-6-7-8-9-10-15(19)17-11-14-12-20-16(18-14)13(2)3/h12-13H,4-11H2,1-3H3,(H,17,19)
InChIKeyMAZIMJBSPZWGBF-UHFFFAOYSA-N
XLogP4.63
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.48
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]butanamide
CID 110728040
2-chloro-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]acetamide
CID 166403785
N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]octadecanamide
CID 108748833
N-[[2-(1-methoxyethyl)-1,3-thiazol-4-yl]methyl]-4-(methylamino)butanamide
CID 119900109
N-[[2-(1-methoxyethyl)-1,3-thiazol-4-yl]methyl]-4-(methylamino)butanamide;dihydrochloride
CID 119900108
N-ethyl-2-(2-propan-2-yl-1,3-thiazol-4-yl)acetamide
CID 91286036
1-N,4-N-bis[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]benzene-1,4-dicarboxamide
CID 56561374
4-butoxy-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]benzamide
CID 56557994
butanedioic acid;bis(N-methyl-1-(2-propan-2-yl-1,3-thiazol-4-yl)methanamine)
CID 11612288
N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]hexan-2-amine
CID 115717931
2-[(2-propan-2-yl-1,3-thiazol-4-yl)methylcarbamoylamino]acetic acid
CID 145463138
N-pentyl-2-propan-2-yl-1,3-thiazole-4-carboxamide
CID 110694251

Frequently Asked Questions

What is the IUPAC name of N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]nonanamide?
The IUPAC name of N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]nonanamide (CID 56558069) is N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]nonanamide.
What is the SMILES notation for N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]nonanamide?
The canonical SMILES for N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]nonanamide is CCCCCCCCC(=O)NCc1csc(C(C)C)n1.
What is the InChIKey of N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]nonanamide?
The InChIKey is MAZIMJBSPZWGBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2OS/c1-4-5-6-7-8-9-10-15(19)17-11-14-12-20-16(18-14)13(2)3/h12-13H,4-11H2,1-3H3,(H,17,19).
What are the key properties of N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]nonanamide?
N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]nonanamide has a molecular weight of 296.48 g/mol, XLogP of 4.63, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]nonanamide is sourced from PubChem (CID 56558069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).