N-[4-(azepan-1-ylmethyl)-1,3-thiazol-2-yl]-2-[cyclopropyl(methyl)amino]acetamide

C16H26N4OS — CID 75418835

IUPACN-[4-(azepan-1-ylmethyl)-1,3-thiazol-2-yl]-2-[cyclopropyl(methyl)amino]acetamide
SMILESCN(CC(=O)Nc1nc(CN2CCCCCC2)cs1)C1CC1
InChIInChI=1S/C16H26N4OS/c1-19(14-6-7-14)11-15(21)18-16-17-13(12-22-16)10-20-8-4-2-3-5-9-20/h12,14H,2-11H2,1H3,(H,17,18,21)
InChIKeyAIIKFZXXLRZJGN-UHFFFAOYSA-N
MW322.48 g/mol
LogP2.55
Rot. Bonds6

About N-[4-(azepan-1-ylmethyl)-1,3-thiazol-2-yl]-2-[cyclopropyl(methyl)amino]acetamide

N-[4-(azepan-1-ylmethyl)-1,3-thiazol-2-yl]-2-[cyclopropyl(methyl)amino]acetamide (PubChem CID 75418835) has the molecular formula C16H26N4OS and a molecular weight of 322.48 g/mol. Its IUPAC name is N-[4-(azepan-1-ylmethyl)-1,3-thiazol-2-yl]-2-[cyclopropyl(methyl)amino]acetamide.

Molecular Properties

Compound NameN-[4-(azepan-1-ylmethyl)-1,3-thiazol-2-yl]-2-[cyclopropyl(methyl)amino]acetamide
PubChem CID75418835
Molecular FormulaC16H26N4OS
Molecular Weight322.48 g/mol
Exact Mass322.18
IUPAC NameN-[4-(azepan-1-ylmethyl)-1,3-thiazol-2-yl]-2-[cyclopropyl(methyl)amino]acetamide
SMILESCN(CC(=O)Nc1nc(CN2CCCCCC2)cs1)C1CC1
InChIInChI=1S/C16H26N4OS/c1-19(14-6-7-14)11-15(21)18-16-17-13(12-22-16)10-20-8-4-2-3-5-9-20/h12,14H,2-11H2,1H3,(H,17,18,21)
InChIKeyAIIKFZXXLRZJGN-UHFFFAOYSA-N
XLogP2.55
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.48
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-(azepan-1-ylmethyl)-1,3-thiazol-2-yl]-2-[cyclopropyl(methyl)amino]acetamide?
The IUPAC name of N-[4-(azepan-1-ylmethyl)-1,3-thiazol-2-yl]-2-[cyclopropyl(methyl)amino]acetamide (CID 75418835) is N-[4-(azepan-1-ylmethyl)-1,3-thiazol-2-yl]-2-[cyclopropyl(methyl)amino]acetamide.
What is the SMILES notation for N-[4-(azepan-1-ylmethyl)-1,3-thiazol-2-yl]-2-[cyclopropyl(methyl)amino]acetamide?
The canonical SMILES for N-[4-(azepan-1-ylmethyl)-1,3-thiazol-2-yl]-2-[cyclopropyl(methyl)amino]acetamide is CN(CC(=O)Nc1nc(CN2CCCCCC2)cs1)C1CC1.
What is the InChIKey of N-[4-(azepan-1-ylmethyl)-1,3-thiazol-2-yl]-2-[cyclopropyl(methyl)amino]acetamide?
The InChIKey is AIIKFZXXLRZJGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4OS/c1-19(14-6-7-14)11-15(21)18-16-17-13(12-22-16)10-20-8-4-2-3-5-9-20/h12,14H,2-11H2,1H3,(H,17,18,21).
What are the key properties of N-[4-(azepan-1-ylmethyl)-1,3-thiazol-2-yl]-2-[cyclopropyl(methyl)amino]acetamide?
N-[4-(azepan-1-ylmethyl)-1,3-thiazol-2-yl]-2-[cyclopropyl(methyl)amino]acetamide has a molecular weight of 322.48 g/mol, XLogP of 2.55, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(azepan-1-ylmethyl)-1,3-thiazol-2-yl]-2-[cyclopropyl(methyl)amino]acetamide is sourced from PubChem (CID 75418835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).