N-(1-hydroxy-4,4-dimethylpentan-2-yl)-2-(prop-2-enylamino)-1,3-thiazole-5-carboxamide

C14H23N3O2S — CID 110004143

IUPACN-(1-hydroxy-4,4-dimethylpentan-2-yl)-2-(prop-2-enylamino)-1,3-thiazole-5-carboxamide
SMILESC=CCNc1ncc(C(=O)NC(CO)CC(C)(C)C)s1
InChIInChI=1S/C14H23N3O2S/c1-5-6-15-13-16-8-11(20-13)12(19)17-10(9-18)7-14(2,3)4/h5,8,10,18H,1,6-7,9H2,2-4H3,(H,15,16)(H,17,19)
InChIKeySJQHASOGQFEQKU-UHFFFAOYSA-N
MW297.42 g/mol
LogP2.27
Rot. Bonds7

About N-(1-hydroxy-4,4-dimethylpentan-2-yl)-2-(prop-2-enylamino)-1,3-thiazole-5-carboxamide

N-(1-hydroxy-4,4-dimethylpentan-2-yl)-2-(prop-2-enylamino)-1,3-thiazole-5-carboxamide (PubChem CID 110004143) has the molecular formula C14H23N3O2S and a molecular weight of 297.42 g/mol. Its IUPAC name is N-(1-hydroxy-4,4-dimethylpentan-2-yl)-2-(prop-2-enylamino)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-(1-hydroxy-4,4-dimethylpentan-2-yl)-2-(prop-2-enylamino)-1,3-thiazole-5-carboxamide
PubChem CID110004143
Molecular FormulaC14H23N3O2S
Molecular Weight297.42 g/mol
Exact Mass297.15
IUPAC NameN-(1-hydroxy-4,4-dimethylpentan-2-yl)-2-(prop-2-enylamino)-1,3-thiazole-5-carboxamide
SMILESC=CCNc1ncc(C(=O)NC(CO)CC(C)(C)C)s1
InChIInChI=1S/C14H23N3O2S/c1-5-6-15-13-16-8-11(20-13)12(19)17-10(9-18)7-14(2,3)4/h5,8,10,18H,1,6-7,9H2,2-4H3,(H,15,16)(H,17,19)
InChIKeySJQHASOGQFEQKU-UHFFFAOYSA-N
XLogP2.27
TPSA74.25 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.42
LogP ≤ 52.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(1-hydroxy-4,4-dimethylpentan-2-yl)-2-(prop-2-enylamino)-1,3-thiazole-5-carboxamide?
The IUPAC name of N-(1-hydroxy-4,4-dimethylpentan-2-yl)-2-(prop-2-enylamino)-1,3-thiazole-5-carboxamide (CID 110004143) is N-(1-hydroxy-4,4-dimethylpentan-2-yl)-2-(prop-2-enylamino)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-(1-hydroxy-4,4-dimethylpentan-2-yl)-2-(prop-2-enylamino)-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-(1-hydroxy-4,4-dimethylpentan-2-yl)-2-(prop-2-enylamino)-1,3-thiazole-5-carboxamide is C=CCNc1ncc(C(=O)NC(CO)CC(C)(C)C)s1.
What is the InChIKey of N-(1-hydroxy-4,4-dimethylpentan-2-yl)-2-(prop-2-enylamino)-1,3-thiazole-5-carboxamide?
The InChIKey is SJQHASOGQFEQKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2S/c1-5-6-15-13-16-8-11(20-13)12(19)17-10(9-18)7-14(2,3)4/h5,8,10,18H,1,6-7,9H2,2-4H3,(H,15,16)(H,17,19).
What are the key properties of N-(1-hydroxy-4,4-dimethylpentan-2-yl)-2-(prop-2-enylamino)-1,3-thiazole-5-carboxamide?
N-(1-hydroxy-4,4-dimethylpentan-2-yl)-2-(prop-2-enylamino)-1,3-thiazole-5-carboxamide has a molecular weight of 297.42 g/mol, XLogP of 2.27, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-hydroxy-4,4-dimethylpentan-2-yl)-2-(prop-2-enylamino)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 110004143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).