N-[1-(4-tert-butyl-1,3-thiazol-2-yl)ethyl]-4-methyl-1,3-thiazole-5-carboxamide

C14H19N3OS2 — CID 56782264

IUPACN-[1-(4-tert-butyl-1,3-thiazol-2-yl)ethyl]-4-methyl-1,3-thiazole-5-carboxamide
SMILESCc1ncsc1C(=O)NC(C)c1nc(C(C)(C)C)cs1
InChIInChI=1S/C14H19N3OS2/c1-8-11(20-7-15-8)12(18)16-9(2)13-17-10(6-19-13)14(3,4)5/h6-7,9H,1-5H3,(H,16,18)
InChIKeyNSYVVRUCJIMMDA-UHFFFAOYSA-N
MW309.46 g/mol
LogP3.70
Rot. Bonds3

About N-[1-(4-tert-butyl-1,3-thiazol-2-yl)ethyl]-4-methyl-1,3-thiazole-5-carboxamide

N-[1-(4-tert-butyl-1,3-thiazol-2-yl)ethyl]-4-methyl-1,3-thiazole-5-carboxamide (PubChem CID 56782264) has the molecular formula C14H19N3OS2 and a molecular weight of 309.46 g/mol. Its IUPAC name is N-[1-(4-tert-butyl-1,3-thiazol-2-yl)ethyl]-4-methyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-[1-(4-tert-butyl-1,3-thiazol-2-yl)ethyl]-4-methyl-1,3-thiazole-5-carboxamide
PubChem CID56782264
Molecular FormulaC14H19N3OS2
Molecular Weight309.46 g/mol
Exact Mass309.10
IUPAC NameN-[1-(4-tert-butyl-1,3-thiazol-2-yl)ethyl]-4-methyl-1,3-thiazole-5-carboxamide
SMILESCc1ncsc1C(=O)NC(C)c1nc(C(C)(C)C)cs1
InChIInChI=1S/C14H19N3OS2/c1-8-11(20-7-15-8)12(18)16-9(2)13-17-10(6-19-13)14(3,4)5/h6-7,9H,1-5H3,(H,16,18)
InChIKeyNSYVVRUCJIMMDA-UHFFFAOYSA-N
XLogP3.70
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.46
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-(4-tert-butyl-1,3-thiazol-2-yl)ethyl]-4-methyl-1,3-thiazole-5-carboxamide?
The IUPAC name of N-[1-(4-tert-butyl-1,3-thiazol-2-yl)ethyl]-4-methyl-1,3-thiazole-5-carboxamide (CID 56782264) is N-[1-(4-tert-butyl-1,3-thiazol-2-yl)ethyl]-4-methyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-[1-(4-tert-butyl-1,3-thiazol-2-yl)ethyl]-4-methyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-[1-(4-tert-butyl-1,3-thiazol-2-yl)ethyl]-4-methyl-1,3-thiazole-5-carboxamide is Cc1ncsc1C(=O)NC(C)c1nc(C(C)(C)C)cs1.
What is the InChIKey of N-[1-(4-tert-butyl-1,3-thiazol-2-yl)ethyl]-4-methyl-1,3-thiazole-5-carboxamide?
The InChIKey is NSYVVRUCJIMMDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3OS2/c1-8-11(20-7-15-8)12(18)16-9(2)13-17-10(6-19-13)14(3,4)5/h6-7,9H,1-5H3,(H,16,18).
What are the key properties of N-[1-(4-tert-butyl-1,3-thiazol-2-yl)ethyl]-4-methyl-1,3-thiazole-5-carboxamide?
N-[1-(4-tert-butyl-1,3-thiazol-2-yl)ethyl]-4-methyl-1,3-thiazole-5-carboxamide has a molecular weight of 309.46 g/mol, XLogP of 3.70, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-tert-butyl-1,3-thiazol-2-yl)ethyl]-4-methyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 56782264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).