N-[4-(hydroxymethyl)-1,3-thiazol-2-yl]-4-methylpentanamide

C10H16N2O2S — CID 138577108

IUPACN-[4-(hydroxymethyl)-1,3-thiazol-2-yl]-4-methylpentanamide
SMILESCC(C)CCC(=O)Nc1nc(CO)cs1
InChIInChI=1S/C10H16N2O2S/c1-7(2)3-4-9(14)12-10-11-8(5-13)6-15-10/h6-7,13H,3-5H2,1-2H3,(H,11,12,14)
InChIKeyNHVDIAVXFWGCKY-UHFFFAOYSA-N
MW228.32 g/mol
LogP2.01
Rot. Bonds5

About N-[4-(hydroxymethyl)-1,3-thiazol-2-yl]-4-methylpentanamide

N-[4-(hydroxymethyl)-1,3-thiazol-2-yl]-4-methylpentanamide (PubChem CID 138577108) has the molecular formula C10H16N2O2S and a molecular weight of 228.32 g/mol. Its IUPAC name is N-[4-(hydroxymethyl)-1,3-thiazol-2-yl]-4-methylpentanamide.

Molecular Properties

Compound NameN-[4-(hydroxymethyl)-1,3-thiazol-2-yl]-4-methylpentanamide
PubChem CID138577108
Molecular FormulaC10H16N2O2S
Molecular Weight228.32 g/mol
Exact Mass228.09
IUPAC NameN-[4-(hydroxymethyl)-1,3-thiazol-2-yl]-4-methylpentanamide
SMILESCC(C)CCC(=O)Nc1nc(CO)cs1
InChIInChI=1S/C10H16N2O2S/c1-7(2)3-4-9(14)12-10-11-8(5-13)6-15-10/h6-7,13H,3-5H2,1-2H3,(H,11,12,14)
InChIKeyNHVDIAVXFWGCKY-UHFFFAOYSA-N
XLogP2.01
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.32
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(hydroxymethyl)-1,3-thiazol-2-yl]butanamide
CID 130668454
4-methyl-N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]pentanamide
CID 47106209
[4-(hydroxymethyl)-1,3-thiazol-2-yl]carbamic acid
CID 87112196
N-(4-ethyl-1,3-thiazol-2-yl)butanamide
CID 87065374
4-methyl-N-(1,3,4-thiadiazol-2-yl)pentanamide
CID 44791054
N-[4-(chloromethyl)-1,3-thiazol-2-yl]-3-methylbutanamide
CID 43140266
[2-[[4-(2-ethoxy-2-oxoethyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] 4-methylpentanoate
CID 7848130
N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-4-methylpentanamide
CID 26893941
2-[2-[[(4S)-4-amino-5-methoxy-5-oxopentanoyl]amino]-1,3-thiazol-4-yl]acetic acid
CID 10638013
N-[4-(2-oxoethyl)-1,3-thiazol-2-yl]butanamide
CID 123465394
6-amino-N-[4-[2-(2-methylpropylamino)-2-oxoethyl]-1,3-thiazol-2-yl]hexanamide
CID 11609548
N-[4-(chloromethyl)-1,3-thiazol-2-yl]propanamide
CID 10398016

Frequently Asked Questions

What is the IUPAC name of N-[4-(hydroxymethyl)-1,3-thiazol-2-yl]-4-methylpentanamide?
The IUPAC name of N-[4-(hydroxymethyl)-1,3-thiazol-2-yl]-4-methylpentanamide (CID 138577108) is N-[4-(hydroxymethyl)-1,3-thiazol-2-yl]-4-methylpentanamide.
What is the SMILES notation for N-[4-(hydroxymethyl)-1,3-thiazol-2-yl]-4-methylpentanamide?
The canonical SMILES for N-[4-(hydroxymethyl)-1,3-thiazol-2-yl]-4-methylpentanamide is CC(C)CCC(=O)Nc1nc(CO)cs1.
What is the InChIKey of N-[4-(hydroxymethyl)-1,3-thiazol-2-yl]-4-methylpentanamide?
The InChIKey is NHVDIAVXFWGCKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O2S/c1-7(2)3-4-9(14)12-10-11-8(5-13)6-15-10/h6-7,13H,3-5H2,1-2H3,(H,11,12,14).
What are the key properties of N-[4-(hydroxymethyl)-1,3-thiazol-2-yl]-4-methylpentanamide?
N-[4-(hydroxymethyl)-1,3-thiazol-2-yl]-4-methylpentanamide has a molecular weight of 228.32 g/mol, XLogP of 2.01, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(hydroxymethyl)-1,3-thiazol-2-yl]-4-methylpentanamide is sourced from PubChem (CID 138577108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).