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

C11H18N2OS — CID 110728040

IUPACN-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]butanamide
SMILESCCCC(=O)NCc1csc(C(C)C)n1
InChIInChI=1S/C11H18N2OS/c1-4-5-10(14)12-6-9-7-15-11(13-9)8(2)3/h7-8H,4-6H2,1-3H3,(H,12,14)
InChIKeyHVVQMHOSDVPAIH-UHFFFAOYSA-N
MW226.34 g/mol
LogP2.68
Rot. Bonds5

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

N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]butanamide (PubChem CID 110728040) has the molecular formula C11H18N2OS and a molecular weight of 226.34 g/mol. Its IUPAC name is N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]butanamide.

Molecular Properties

Compound NameN-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]butanamide
PubChem CID110728040
Molecular FormulaC11H18N2OS
Molecular Weight226.34 g/mol
Exact Mass226.11
IUPAC NameN-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]butanamide
SMILESCCCC(=O)NCc1csc(C(C)C)n1
InChIInChI=1S/C11H18N2OS/c1-4-5-10(14)12-6-9-7-15-11(13-9)8(2)3/h7-8H,4-6H2,1-3H3,(H,12,14)
InChIKeyHVVQMHOSDVPAIH-UHFFFAOYSA-N
XLogP2.68
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.34
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]nonanamide
CID 56558069
2-chloro-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]acetamide
CID 166403785
methyl N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamate
CID 110728086
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
3-(4-methyl-1,2,4-triazol-3-yl)-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]propanamide
CID 118764161
butanedioic acid;bis(N-methyl-1-(2-propan-2-yl-1,3-thiazol-4-yl)methanamine)
CID 11612288
2-[(2-propan-2-yl-1,3-thiazol-4-yl)methylcarbamoylamino]acetic acid
CID 145463138
3-[(2-propan-2-yl-1,3-thiazol-4-yl)methylamino]propanamide
CID 115919637
4-oxo-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butanamide
CID 56557998
3-(5-phenylfuran-2-yl)-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]propanamide
CID 56558109
4-methyl-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]benzamide
CID 110728056

Frequently Asked Questions

What is the IUPAC name of N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]butanamide?
The IUPAC name of N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]butanamide (CID 110728040) is N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]butanamide.
What is the SMILES notation for N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]butanamide?
The canonical SMILES for N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]butanamide is CCCC(=O)NCc1csc(C(C)C)n1.
What is the InChIKey of N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]butanamide?
The InChIKey is HVVQMHOSDVPAIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2OS/c1-4-5-10(14)12-6-9-7-15-11(13-9)8(2)3/h7-8H,4-6H2,1-3H3,(H,12,14).
What are the key properties of N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]butanamide?
N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]butanamide has a molecular weight of 226.34 g/mol, XLogP of 2.68, 5 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]butanamide is sourced from PubChem (CID 110728040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).