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

C13H22N4OS — CID 106047483

IUPAC2-(1,4-diazepan-1-yl)-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]acetamide
SMILESCc1nc(CCNC(=O)CN2CCCNCC2)cs1
InChIInChI=1S/C13H22N4OS/c1-11-16-12(10-19-11)3-5-15-13(18)9-17-7-2-4-14-6-8-17/h10,14H,2-9H2,1H3,(H,15,18)
InChIKeyJYPMAGIWUZWHOW-UHFFFAOYSA-N
MW282.41 g/mol
LogP0.41
Rot. Bonds5

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

2-(1,4-diazepan-1-yl)-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]acetamide (PubChem CID 106047483) has the molecular formula C13H22N4OS and a molecular weight of 282.41 g/mol. Its IUPAC name is 2-(1,4-diazepan-1-yl)-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-(1,4-diazepan-1-yl)-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]acetamide
PubChem CID106047483
Molecular FormulaC13H22N4OS
Molecular Weight282.41 g/mol
Exact Mass282.15
IUPAC Name2-(1,4-diazepan-1-yl)-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]acetamide
SMILESCc1nc(CCNC(=O)CN2CCCNCC2)cs1
InChIInChI=1S/C13H22N4OS/c1-11-16-12(10-19-11)3-5-15-13(18)9-17-7-2-4-14-6-8-17/h10,14H,2-9H2,1H3,(H,15,18)
InChIKeyJYPMAGIWUZWHOW-UHFFFAOYSA-N
XLogP0.41
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.41
LogP ≤ 50.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(1,4-diazepan-1-yl)ethyl]-2-(2-methyl-1,3-thiazol-4-yl)ethanamine
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2-methyl-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-2-piperazin-1-ylpropanamide
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2-(1,4-diazepan-1-yl)-N-(2-pyridin-4-ylethyl)acetamide
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2-methyl-4-(2-piperazin-1-ylethyl)-1,3-thiazole
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CID 62832012
2-(1,4-diazepan-1-yl)-N-[2-(4-hydroxyphenyl)ethyl]acetamide
CID 62839241
2-(1,4-diazepan-1-yl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]acetamide
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N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]piperidine-3-carboxamide
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Frequently Asked Questions

What is the IUPAC name of 2-(1,4-diazepan-1-yl)-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]acetamide?
The IUPAC name of 2-(1,4-diazepan-1-yl)-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]acetamide (CID 106047483) is 2-(1,4-diazepan-1-yl)-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]acetamide.
What is the SMILES notation for 2-(1,4-diazepan-1-yl)-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]acetamide?
The canonical SMILES for 2-(1,4-diazepan-1-yl)-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]acetamide is Cc1nc(CCNC(=O)CN2CCCNCC2)cs1.
What is the InChIKey of 2-(1,4-diazepan-1-yl)-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]acetamide?
The InChIKey is JYPMAGIWUZWHOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4OS/c1-11-16-12(10-19-11)3-5-15-13(18)9-17-7-2-4-14-6-8-17/h10,14H,2-9H2,1H3,(H,15,18).
What are the key properties of 2-(1,4-diazepan-1-yl)-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]acetamide?
2-(1,4-diazepan-1-yl)-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]acetamide has a molecular weight of 282.41 g/mol, XLogP of 0.41, 5 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-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]acetamide is sourced from PubChem (CID 106047483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).