N-tert-butyl-2-propyl-2H-1,3-thiazole-3-carboxamide

C11H20N2OS — CID 140969073

IUPACN-tert-butyl-2-propyl-2H-1,3-thiazole-3-carboxamide
SMILESCCCC1SC=CN1C(=O)NC(C)(C)C
InChIInChI=1S/C11H20N2OS/c1-5-6-9-13(7-8-15-9)10(14)12-11(2,3)4/h7-9H,5-6H2,1-4H3,(H,12,14)
InChIKeyBWUCBWMPSWKZKE-UHFFFAOYSA-N
MW228.36 g/mol
LogP3.14
Rot. Bonds2

About N-tert-butyl-2-propyl-2H-1,3-thiazole-3-carboxamide

N-tert-butyl-2-propyl-2H-1,3-thiazole-3-carboxamide (PubChem CID 140969073) has the molecular formula C11H20N2OS and a molecular weight of 228.36 g/mol. Its IUPAC name is N-tert-butyl-2-propyl-2H-1,3-thiazole-3-carboxamide.

Molecular Properties

Compound NameN-tert-butyl-2-propyl-2H-1,3-thiazole-3-carboxamide
PubChem CID140969073
Molecular FormulaC11H20N2OS
Molecular Weight228.36 g/mol
Exact Mass228.13
IUPAC NameN-tert-butyl-2-propyl-2H-1,3-thiazole-3-carboxamide
SMILESCCCC1SC=CN1C(=O)NC(C)(C)C
InChIInChI=1S/C11H20N2OS/c1-5-6-9-13(7-8-15-9)10(14)12-11(2,3)4/h7-9H,5-6H2,1-4H3,(H,12,14)
InChIKeyBWUCBWMPSWKZKE-UHFFFAOYSA-N
XLogP3.14
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.36
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-propyl-2H-1,3-thiazole-3-carboxamide?
The IUPAC name of N-tert-butyl-2-propyl-2H-1,3-thiazole-3-carboxamide (CID 140969073) is N-tert-butyl-2-propyl-2H-1,3-thiazole-3-carboxamide.
What is the SMILES notation for N-tert-butyl-2-propyl-2H-1,3-thiazole-3-carboxamide?
The canonical SMILES for N-tert-butyl-2-propyl-2H-1,3-thiazole-3-carboxamide is CCCC1SC=CN1C(=O)NC(C)(C)C.
What is the InChIKey of N-tert-butyl-2-propyl-2H-1,3-thiazole-3-carboxamide?
The InChIKey is BWUCBWMPSWKZKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2OS/c1-5-6-9-13(7-8-15-9)10(14)12-11(2,3)4/h7-9H,5-6H2,1-4H3,(H,12,14).
What are the key properties of N-tert-butyl-2-propyl-2H-1,3-thiazole-3-carboxamide?
N-tert-butyl-2-propyl-2H-1,3-thiazole-3-carboxamide has a molecular weight of 228.36 g/mol, XLogP of 3.14, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-propyl-2H-1,3-thiazole-3-carboxamide is sourced from PubChem (CID 140969073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).