2-(1,4-diazepan-1-yl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]acetamide

C12H20N4OS — CID 62838697

IUPAC2-(1,4-diazepan-1-yl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]acetamide
SMILESCc1csc(CNC(=O)CN2CCCNCC2)n1
InChIInChI=1S/C12H20N4OS/c1-10-9-18-12(15-10)7-14-11(17)8-16-5-2-3-13-4-6-16/h9,13H,2-8H2,1H3,(H,14,17)
InChIKeyHNHADMIYLSFRAN-UHFFFAOYSA-N
MW268.39 g/mol
LogP0.36
Rot. Bonds4

About 2-(1,4-diazepan-1-yl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]acetamide

2-(1,4-diazepan-1-yl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]acetamide (PubChem CID 62838697) has the molecular formula C12H20N4OS and a molecular weight of 268.39 g/mol. Its IUPAC name is 2-(1,4-diazepan-1-yl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]acetamide.

Molecular Properties

Compound Name2-(1,4-diazepan-1-yl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]acetamide
PubChem CID62838697
Molecular FormulaC12H20N4OS
Molecular Weight268.39 g/mol
Exact Mass268.14
IUPAC Name2-(1,4-diazepan-1-yl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]acetamide
SMILESCc1csc(CNC(=O)CN2CCCNCC2)n1
InChIInChI=1S/C12H20N4OS/c1-10-9-18-12(15-10)7-14-11(17)8-16-5-2-3-13-4-6-16/h9,13H,2-8H2,1H3,(H,14,17)
InChIKeyHNHADMIYLSFRAN-UHFFFAOYSA-N
XLogP0.36
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.39
LogP ≤ 50.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(1,4-diazepan-1-yl)-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]acetamide
CID 106047483
2-(1,4-diazepan-1-yl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]acetamide
CID 55121255
N-[(4-methyl-1,3-thiazol-2-yl)methyl]-2-(2-oxopyrrolidin-1-yl)acetamide
CID 47143924
2-(1,4-diazepan-1-yl)-N-(1,2-oxazol-3-ylmethyl)acetamide
CID 81171334
2-(methylamino)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]acetamide
CID 61043728
2-(1,4-diazepan-1-yl)-N-(4-propan-2-yl-1,3-thiazol-2-yl)acetamide
CID 55121452
2-(1,4-diazepan-1-yl)-N-[(4-hydroxyphenyl)methyl]acetamide
CID 114332159
N-[(4-methyl-1,3-thiazol-2-yl)methyl]piperidine-4-carboxamide
CID 61044449
N-[(4-methyl-1,3-thiazol-2-yl)methyl]-2-(2,2,2-trifluoroethylamino)acetamide
CID 78924252
2-(1,4-diazepan-1-yl)-N-(1H-imidazol-2-ylmethyl)acetamide
CID 64530362
N-[(4-methyl-1,3-thiazol-2-yl)methyl]piperidine-4-carboxamide;dihydrochloride
CID 119839235
2-(3,6-dioxo-1H-pyridazin-2-yl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]acetamide
CID 51075852

Frequently Asked Questions

What is the IUPAC name of 2-(1,4-diazepan-1-yl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]acetamide?
The IUPAC name of 2-(1,4-diazepan-1-yl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]acetamide (CID 62838697) is 2-(1,4-diazepan-1-yl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]acetamide.
What is the SMILES notation for 2-(1,4-diazepan-1-yl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]acetamide?
The canonical SMILES for 2-(1,4-diazepan-1-yl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]acetamide is Cc1csc(CNC(=O)CN2CCCNCC2)n1.
What is the InChIKey of 2-(1,4-diazepan-1-yl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]acetamide?
The InChIKey is HNHADMIYLSFRAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4OS/c1-10-9-18-12(15-10)7-14-11(17)8-16-5-2-3-13-4-6-16/h9,13H,2-8H2,1H3,(H,14,17).
What are the key properties of 2-(1,4-diazepan-1-yl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]acetamide?
2-(1,4-diazepan-1-yl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]acetamide has a molecular weight of 268.39 g/mol, XLogP of 0.36, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,4-diazepan-1-yl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]acetamide is sourced from PubChem (CID 62838697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).