butyl N-[2-hydroxy-2-[2-(2-methylpropanoylamino)-1,3-thiazol-5-yl]ethyl]carbamate

C14H23N3O4S — CID 138472949

IUPACbutyl N-[2-hydroxy-2-[2-(2-methylpropanoylamino)-1,3-thiazol-5-yl]ethyl]carbamate
SMILESCCCCOC(=O)NCC(O)c1cnc(NC(=O)C(C)C)s1
InChIInChI=1S/C14H23N3O4S/c1-4-5-6-21-14(20)16-7-10(18)11-8-15-13(22-11)17-12(19)9(2)3/h8-10,18H,4-7H2,1-3H3,(H,16,20)(H,15,17,19)
InChIKeyVKSSRDLENGYJGO-UHFFFAOYSA-N
MW329.42 g/mol
LogP2.30
Rot. Bonds8

About butyl N-[2-hydroxy-2-[2-(2-methylpropanoylamino)-1,3-thiazol-5-yl]ethyl]carbamate

butyl N-[2-hydroxy-2-[2-(2-methylpropanoylamino)-1,3-thiazol-5-yl]ethyl]carbamate (PubChem CID 138472949) has the molecular formula C14H23N3O4S and a molecular weight of 329.42 g/mol. Its IUPAC name is butyl N-[2-hydroxy-2-[2-(2-methylpropanoylamino)-1,3-thiazol-5-yl]ethyl]carbamate.

Molecular Properties

Compound Namebutyl N-[2-hydroxy-2-[2-(2-methylpropanoylamino)-1,3-thiazol-5-yl]ethyl]carbamate
PubChem CID138472949
Molecular FormulaC14H23N3O4S
Molecular Weight329.42 g/mol
Exact Mass329.14
IUPAC Namebutyl N-[2-hydroxy-2-[2-(2-methylpropanoylamino)-1,3-thiazol-5-yl]ethyl]carbamate
SMILESCCCCOC(=O)NCC(O)c1cnc(NC(=O)C(C)C)s1
InChIInChI=1S/C14H23N3O4S/c1-4-5-6-21-14(20)16-7-10(18)11-8-15-13(22-11)17-12(19)9(2)3/h8-10,18H,4-7H2,1-3H3,(H,16,20)(H,15,17,19)
InChIKeyVKSSRDLENGYJGO-UHFFFAOYSA-N
XLogP2.30
TPSA100.55 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.42
LogP ≤ 52.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

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pentyl N-[(2S)-2-hydroxy-2-phenylethyl]carbamate
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2-(2-methylpropanoylamino)-1,3-thiazole-5-carboxamide
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butyl N-(2,6-diethylphenyl)carbamate
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butyl N-[(2-methylphenyl)methyl]carbamate
CID 70509703
4-ethoxy-N-(5-propan-2-yl-1,3-thiazol-2-yl)benzamide
CID 22170489
butyl N-(2-benzyl-3-hydrazinyl-3-oxopropyl)carbamate
CID 69401641
4-ethoxy-N-(5-propan-2-yl-1,3-thiazol-2-yl)butanamide
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CID 22135188
CID 22135188

Frequently Asked Questions

What is the IUPAC name of butyl N-[2-hydroxy-2-[2-(2-methylpropanoylamino)-1,3-thiazol-5-yl]ethyl]carbamate?
The IUPAC name of butyl N-[2-hydroxy-2-[2-(2-methylpropanoylamino)-1,3-thiazol-5-yl]ethyl]carbamate (CID 138472949) is butyl N-[2-hydroxy-2-[2-(2-methylpropanoylamino)-1,3-thiazol-5-yl]ethyl]carbamate.
What is the SMILES notation for butyl N-[2-hydroxy-2-[2-(2-methylpropanoylamino)-1,3-thiazol-5-yl]ethyl]carbamate?
The canonical SMILES for butyl N-[2-hydroxy-2-[2-(2-methylpropanoylamino)-1,3-thiazol-5-yl]ethyl]carbamate is CCCCOC(=O)NCC(O)c1cnc(NC(=O)C(C)C)s1.
What is the InChIKey of butyl N-[2-hydroxy-2-[2-(2-methylpropanoylamino)-1,3-thiazol-5-yl]ethyl]carbamate?
The InChIKey is VKSSRDLENGYJGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O4S/c1-4-5-6-21-14(20)16-7-10(18)11-8-15-13(22-11)17-12(19)9(2)3/h8-10,18H,4-7H2,1-3H3,(H,16,20)(H,15,17,19).
What are the key properties of butyl N-[2-hydroxy-2-[2-(2-methylpropanoylamino)-1,3-thiazol-5-yl]ethyl]carbamate?
butyl N-[2-hydroxy-2-[2-(2-methylpropanoylamino)-1,3-thiazol-5-yl]ethyl]carbamate has a molecular weight of 329.42 g/mol, XLogP of 2.30, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for butyl N-[2-hydroxy-2-[2-(2-methylpropanoylamino)-1,3-thiazol-5-yl]ethyl]carbamate is sourced from PubChem (CID 138472949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).