N-[3-[4-methyl-5-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]amino]methyl]-1,2,4-triazol-3-yl]cyclobutyl]acetamide

C18H28N6OS — CID 91785789

IUPACN-[3-[4-methyl-5-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]amino]methyl]-1,2,4-triazol-3-yl]cyclobutyl]acetamide
SMILESCC(=O)NC1CC(c2nnc(CN(C)Cc3csc(C(C)C)n3)n2C)C1
InChIInChI=1S/C18H28N6OS/c1-11(2)18-20-15(10-26-18)8-23(4)9-16-21-22-17(24(16)5)13-6-14(7-13)19-12(3)25/h10-11,13-14H,6-9H2,1-5H3,(H,19,25)
InChIKeyYHWOUNFSXGXQGA-UHFFFAOYSA-N
MW376.53 g/mol
LogP2.41
Rot. Bonds7

About N-[3-[4-methyl-5-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]amino]methyl]-1,2,4-triazol-3-yl]cyclobutyl]acetamide

N-[3-[4-methyl-5-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]amino]methyl]-1,2,4-triazol-3-yl]cyclobutyl]acetamide (PubChem CID 91785789) has the molecular formula C18H28N6OS and a molecular weight of 376.53 g/mol. Its IUPAC name is N-[3-[4-methyl-5-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]amino]methyl]-1,2,4-triazol-3-yl]cyclobutyl]acetamide.

Molecular Properties

Compound NameN-[3-[4-methyl-5-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]amino]methyl]-1,2,4-triazol-3-yl]cyclobutyl]acetamide
PubChem CID91785789
Molecular FormulaC18H28N6OS
Molecular Weight376.53 g/mol
Exact Mass376.20
IUPAC NameN-[3-[4-methyl-5-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]amino]methyl]-1,2,4-triazol-3-yl]cyclobutyl]acetamide
SMILESCC(=O)NC1CC(c2nnc(CN(C)Cc3csc(C(C)C)n3)n2C)C1
InChIInChI=1S/C18H28N6OS/c1-11(2)18-20-15(10-26-18)8-23(4)9-16-21-22-17(24(16)5)13-6-14(7-13)19-12(3)25/h10-11,13-14H,6-9H2,1-5H3,(H,19,25)
InChIKeyYHWOUNFSXGXQGA-UHFFFAOYSA-N
XLogP2.41
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.53
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[3-[4-methyl-5-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]amino]methyl]-1,2,4-triazol-3-yl]cyclobutyl]acetamide?
The IUPAC name of N-[3-[4-methyl-5-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]amino]methyl]-1,2,4-triazol-3-yl]cyclobutyl]acetamide (CID 91785789) is N-[3-[4-methyl-5-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]amino]methyl]-1,2,4-triazol-3-yl]cyclobutyl]acetamide.
What is the SMILES notation for N-[3-[4-methyl-5-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]amino]methyl]-1,2,4-triazol-3-yl]cyclobutyl]acetamide?
The canonical SMILES for N-[3-[4-methyl-5-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]amino]methyl]-1,2,4-triazol-3-yl]cyclobutyl]acetamide is CC(=O)NC1CC(c2nnc(CN(C)Cc3csc(C(C)C)n3)n2C)C1.
What is the InChIKey of N-[3-[4-methyl-5-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]amino]methyl]-1,2,4-triazol-3-yl]cyclobutyl]acetamide?
The InChIKey is YHWOUNFSXGXQGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N6OS/c1-11(2)18-20-15(10-26-18)8-23(4)9-16-21-22-17(24(16)5)13-6-14(7-13)19-12(3)25/h10-11,13-14H,6-9H2,1-5H3,(H,19,25).
What are the key properties of N-[3-[4-methyl-5-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]amino]methyl]-1,2,4-triazol-3-yl]cyclobutyl]acetamide?
N-[3-[4-methyl-5-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]amino]methyl]-1,2,4-triazol-3-yl]cyclobutyl]acetamide has a molecular weight of 376.53 g/mol, XLogP of 2.41, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[4-methyl-5-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]amino]methyl]-1,2,4-triazol-3-yl]cyclobutyl]acetamide is sourced from PubChem (CID 91785789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).