N-[5-(dimethylamino)-2-methylpentan-2-yl]-2-(1,3-dioxolan-2-yl)-1,3-thiazole-5-carboxamide

C15H25N3O3S — CID 122154912

IUPACN-[5-(dimethylamino)-2-methylpentan-2-yl]-2-(1,3-dioxolan-2-yl)-1,3-thiazole-5-carboxamide
SMILESCN(C)CCCC(C)(C)NC(=O)c1cnc(C2OCCO2)s1
InChIInChI=1S/C15H25N3O3S/c1-15(2,6-5-7-18(3)4)17-12(19)11-10-16-13(22-11)14-20-8-9-21-14/h10,14H,5-9H2,1-4H3,(H,17,19)
InChIKeyNIAQZQHUOVZHJF-UHFFFAOYSA-N
MW327.45 g/mol
LogP2.04
Rot. Bonds7

About N-[5-(dimethylamino)-2-methylpentan-2-yl]-2-(1,3-dioxolan-2-yl)-1,3-thiazole-5-carboxamide

N-[5-(dimethylamino)-2-methylpentan-2-yl]-2-(1,3-dioxolan-2-yl)-1,3-thiazole-5-carboxamide (PubChem CID 122154912) has the molecular formula C15H25N3O3S and a molecular weight of 327.45 g/mol. Its IUPAC name is N-[5-(dimethylamino)-2-methylpentan-2-yl]-2-(1,3-dioxolan-2-yl)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-[5-(dimethylamino)-2-methylpentan-2-yl]-2-(1,3-dioxolan-2-yl)-1,3-thiazole-5-carboxamide
PubChem CID122154912
Molecular FormulaC15H25N3O3S
Molecular Weight327.45 g/mol
Exact Mass327.16
IUPAC NameN-[5-(dimethylamino)-2-methylpentan-2-yl]-2-(1,3-dioxolan-2-yl)-1,3-thiazole-5-carboxamide
SMILESCN(C)CCCC(C)(C)NC(=O)c1cnc(C2OCCO2)s1
InChIInChI=1S/C15H25N3O3S/c1-15(2,6-5-7-18(3)4)17-12(19)11-10-16-13(22-11)14-20-8-9-21-14/h10,14H,5-9H2,1-4H3,(H,17,19)
InChIKeyNIAQZQHUOVZHJF-UHFFFAOYSA-N
XLogP2.04
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.45
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[5-(dimethylamino)-2-methylpentan-2-yl]-2-(1,3-dioxolan-2-yl)-1,3-thiazole-5-carboxamide?
The IUPAC name of N-[5-(dimethylamino)-2-methylpentan-2-yl]-2-(1,3-dioxolan-2-yl)-1,3-thiazole-5-carboxamide (CID 122154912) is N-[5-(dimethylamino)-2-methylpentan-2-yl]-2-(1,3-dioxolan-2-yl)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-[5-(dimethylamino)-2-methylpentan-2-yl]-2-(1,3-dioxolan-2-yl)-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-[5-(dimethylamino)-2-methylpentan-2-yl]-2-(1,3-dioxolan-2-yl)-1,3-thiazole-5-carboxamide is CN(C)CCCC(C)(C)NC(=O)c1cnc(C2OCCO2)s1.
What is the InChIKey of N-[5-(dimethylamino)-2-methylpentan-2-yl]-2-(1,3-dioxolan-2-yl)-1,3-thiazole-5-carboxamide?
The InChIKey is NIAQZQHUOVZHJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O3S/c1-15(2,6-5-7-18(3)4)17-12(19)11-10-16-13(22-11)14-20-8-9-21-14/h10,14H,5-9H2,1-4H3,(H,17,19).
What are the key properties of N-[5-(dimethylamino)-2-methylpentan-2-yl]-2-(1,3-dioxolan-2-yl)-1,3-thiazole-5-carboxamide?
N-[5-(dimethylamino)-2-methylpentan-2-yl]-2-(1,3-dioxolan-2-yl)-1,3-thiazole-5-carboxamide has a molecular weight of 327.45 g/mol, XLogP of 2.04, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(dimethylamino)-2-methylpentan-2-yl]-2-(1,3-dioxolan-2-yl)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 122154912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).