N-[1-(dimethylamino)-4-methylpentan-2-yl]-2-ethyl-1,3-thiazole-5-carboxamide

C14H25N3OS — CID 86847777

IUPACN-[1-(dimethylamino)-4-methylpentan-2-yl]-2-ethyl-1,3-thiazole-5-carboxamide
SMILESCCc1ncc(C(=O)NC(CC(C)C)CN(C)C)s1
InChIInChI=1S/C14H25N3OS/c1-6-13-15-8-12(19-13)14(18)16-11(7-10(2)3)9-17(4)5/h8,10-11H,6-7,9H2,1-5H3,(H,16,18)
InChIKeyHLGMGWMFMINZJS-UHFFFAOYSA-N
MW283.44 g/mol
LogP2.41
Rot. Bonds7

About N-[1-(dimethylamino)-4-methylpentan-2-yl]-2-ethyl-1,3-thiazole-5-carboxamide

N-[1-(dimethylamino)-4-methylpentan-2-yl]-2-ethyl-1,3-thiazole-5-carboxamide (PubChem CID 86847777) has the molecular formula C14H25N3OS and a molecular weight of 283.44 g/mol. Its IUPAC name is N-[1-(dimethylamino)-4-methylpentan-2-yl]-2-ethyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-[1-(dimethylamino)-4-methylpentan-2-yl]-2-ethyl-1,3-thiazole-5-carboxamide
PubChem CID86847777
Molecular FormulaC14H25N3OS
Molecular Weight283.44 g/mol
Exact Mass283.17
IUPAC NameN-[1-(dimethylamino)-4-methylpentan-2-yl]-2-ethyl-1,3-thiazole-5-carboxamide
SMILESCCc1ncc(C(=O)NC(CC(C)C)CN(C)C)s1
InChIInChI=1S/C14H25N3OS/c1-6-13-15-8-12(19-13)14(18)16-11(7-10(2)3)9-17(4)5/h8,10-11H,6-7,9H2,1-5H3,(H,16,18)
InChIKeyHLGMGWMFMINZJS-UHFFFAOYSA-N
XLogP2.41
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.44
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-(dimethylamino)-4-methylpentan-2-yl]-2-ethyl-1,3-thiazole-5-carboxamide?
The IUPAC name of N-[1-(dimethylamino)-4-methylpentan-2-yl]-2-ethyl-1,3-thiazole-5-carboxamide (CID 86847777) is N-[1-(dimethylamino)-4-methylpentan-2-yl]-2-ethyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-[1-(dimethylamino)-4-methylpentan-2-yl]-2-ethyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-[1-(dimethylamino)-4-methylpentan-2-yl]-2-ethyl-1,3-thiazole-5-carboxamide is CCc1ncc(C(=O)NC(CC(C)C)CN(C)C)s1.
What is the InChIKey of N-[1-(dimethylamino)-4-methylpentan-2-yl]-2-ethyl-1,3-thiazole-5-carboxamide?
The InChIKey is HLGMGWMFMINZJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3OS/c1-6-13-15-8-12(19-13)14(18)16-11(7-10(2)3)9-17(4)5/h8,10-11H,6-7,9H2,1-5H3,(H,16,18).
What are the key properties of N-[1-(dimethylamino)-4-methylpentan-2-yl]-2-ethyl-1,3-thiazole-5-carboxamide?
N-[1-(dimethylamino)-4-methylpentan-2-yl]-2-ethyl-1,3-thiazole-5-carboxamide has a molecular weight of 283.44 g/mol, XLogP of 2.41, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(dimethylamino)-4-methylpentan-2-yl]-2-ethyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 86847777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).