N-(1-hydroxypentan-3-yl)-1,3-thiazole-5-carboxamide

C9H14N2O2S — CID 103850626

IUPACN-(1-hydroxypentan-3-yl)-1,3-thiazole-5-carboxamide
SMILESCCC(CCO)NC(=O)c1cncs1
InChIInChI=1S/C9H14N2O2S/c1-2-7(3-4-12)11-9(13)8-5-10-6-14-8/h5-7,12H,2-4H2,1H3,(H,11,13)
InChIKeyCUXPKHKMVWOZDV-UHFFFAOYSA-N
MW214.29 g/mol
LogP1.03
Rot. Bonds5

About N-(1-hydroxypentan-3-yl)-1,3-thiazole-5-carboxamide

N-(1-hydroxypentan-3-yl)-1,3-thiazole-5-carboxamide (PubChem CID 103850626) has the molecular formula C9H14N2O2S and a molecular weight of 214.29 g/mol. Its IUPAC name is N-(1-hydroxypentan-3-yl)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-(1-hydroxypentan-3-yl)-1,3-thiazole-5-carboxamide
PubChem CID103850626
Molecular FormulaC9H14N2O2S
Molecular Weight214.29 g/mol
Exact Mass214.08
IUPAC NameN-(1-hydroxypentan-3-yl)-1,3-thiazole-5-carboxamide
SMILESCCC(CCO)NC(=O)c1cncs1
InChIInChI=1S/C9H14N2O2S/c1-2-7(3-4-12)11-9(13)8-5-10-6-14-8/h5-7,12H,2-4H2,1H3,(H,11,13)
InChIKeyCUXPKHKMVWOZDV-UHFFFAOYSA-N
XLogP1.03
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.29
LogP ≤ 51.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2R)-1-hydroxybutan-2-yl]-1,3-thiazole-5-carboxamide
CID 103920352
N-butan-2-yl-1,3-thiazole-5-carboxamide
CID 110848421
N-propan-2-yl-1,3-thiazole-5-carboxamide
CID 23525711
N-[1-(4-bromophenyl)propyl]-1,3-thiazole-5-carboxamide
CID 17399690
3-ethyl-N-(1-hydroxypentan-3-yl)thiophene-2-carboxamide
CID 109479175
N'-(1,3-thiazole-5-carbonyl)-1,3-thiazole-5-carbohydrazide
CID 139226744
N-(2-methylpropyl)-1,3-thiazole-5-carboxamide
CID 110848299
N-(1-chloro-3-phenylpropan-2-yl)-1,3-thiazole-5-carboxamide
CID 114031419
5-chloro-N-(1-hydroxypentan-3-yl)pyrazine-2-carboxamide
CID 107258073
N-(4-hydroxybutyl)-1,3-thiazole-5-carboxamide
CID 107168303
N-(2-aminoethyl)-1,3-thiazole-5-carboxamide
CID 83617604
tert-butyl (2S)-2-(1,3-thiazole-5-carbonylamino)propanoate
CID 103822380

Frequently Asked Questions

What is the IUPAC name of N-(1-hydroxypentan-3-yl)-1,3-thiazole-5-carboxamide?
The IUPAC name of N-(1-hydroxypentan-3-yl)-1,3-thiazole-5-carboxamide (CID 103850626) is N-(1-hydroxypentan-3-yl)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-(1-hydroxypentan-3-yl)-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-(1-hydroxypentan-3-yl)-1,3-thiazole-5-carboxamide is CCC(CCO)NC(=O)c1cncs1.
What is the InChIKey of N-(1-hydroxypentan-3-yl)-1,3-thiazole-5-carboxamide?
The InChIKey is CUXPKHKMVWOZDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O2S/c1-2-7(3-4-12)11-9(13)8-5-10-6-14-8/h5-7,12H,2-4H2,1H3,(H,11,13).
What are the key properties of N-(1-hydroxypentan-3-yl)-1,3-thiazole-5-carboxamide?
N-(1-hydroxypentan-3-yl)-1,3-thiazole-5-carboxamide has a molecular weight of 214.29 g/mol, XLogP of 1.03, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-hydroxypentan-3-yl)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 103850626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).