4-[(1-ethylimidazol-2-yl)methyl]-N-(1,2-thiazol-5-yl)-1,4-diazepane-1-carboxamide

C15H22N6OS — CID 138025789

IUPAC4-[(1-ethylimidazol-2-yl)methyl]-N-(1,2-thiazol-5-yl)-1,4-diazepane-1-carboxamide
SMILESCCn1ccnc1CN1CCCN(C(=O)Nc2ccns2)CC1
InChIInChI=1S/C15H22N6OS/c1-2-20-9-6-16-13(20)12-19-7-3-8-21(11-10-19)15(22)18-14-4-5-17-23-14/h4-6,9H,2-3,7-8,10-12H2,1H3,(H,18,22)
InChIKeyUNEZDJQIVDSWMC-UHFFFAOYSA-N
MW334.45 g/mol
LogP2.10
Rot. Bonds4

About 4-[(1-ethylimidazol-2-yl)methyl]-N-(1,2-thiazol-5-yl)-1,4-diazepane-1-carboxamide

4-[(1-ethylimidazol-2-yl)methyl]-N-(1,2-thiazol-5-yl)-1,4-diazepane-1-carboxamide (PubChem CID 138025789) has the molecular formula C15H22N6OS and a molecular weight of 334.45 g/mol. Its IUPAC name is 4-[(1-ethylimidazol-2-yl)methyl]-N-(1,2-thiazol-5-yl)-1,4-diazepane-1-carboxamide.

Molecular Properties

Compound Name4-[(1-ethylimidazol-2-yl)methyl]-N-(1,2-thiazol-5-yl)-1,4-diazepane-1-carboxamide
PubChem CID138025789
Molecular FormulaC15H22N6OS
Molecular Weight334.45 g/mol
Exact Mass334.16
IUPAC Name4-[(1-ethylimidazol-2-yl)methyl]-N-(1,2-thiazol-5-yl)-1,4-diazepane-1-carboxamide
SMILESCCn1ccnc1CN1CCCN(C(=O)Nc2ccns2)CC1
InChIInChI=1S/C15H22N6OS/c1-2-20-9-6-16-13(20)12-19-7-3-8-21(11-10-19)15(22)18-14-4-5-17-23-14/h4-6,9H,2-3,7-8,10-12H2,1H3,(H,18,22)
InChIKeyUNEZDJQIVDSWMC-UHFFFAOYSA-N
XLogP2.10
TPSA66.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.45
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-[(1-ethylimidazol-2-yl)methyl]-N-(1,2-thiazol-5-yl)-1,4-diazepane-1-carboxamide with MolForge

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Related Compounds

(2R)-1-[4-[(1-ethylimidazol-2-yl)methyl]-1,4-diazepan-1-yl]-2-methyl-3-pyrazol-1-ylpropan-1-one
CID 95325276
[(1R)-cyclohex-3-en-1-yl]-[4-[(1-ethylimidazol-2-yl)methyl]-1,4-diazepan-1-yl]methanone
CID 95325754
(2R)-2-[4-[(1-ethylimidazol-2-yl)methyl]piperazin-1-yl]-1-pyrrolidin-1-ylpropan-1-one
CID 95280328
N-(2-iodophenyl)-4-[(1-methylimidazol-2-yl)methyl]-1,4-diazepane-1-carboxamide
CID 3710390
1-[(1-ethylimidazol-2-yl)methyl]-N-methylpiperidin-3-amine
CID 62736422
[1-[(1-ethylimidazol-2-yl)methyl]-4-(pyrrolidin-1-ylmethyl)piperidin-4-yl]methanol
CID 91791648
(3S)-1-[(1-ethylimidazol-2-yl)methyl]piperidin-3-ol
CID 107226188
ethenyl 4-[(1-benzylimidazol-2-yl)methyl]-1,4-diazepane-1-carboxylate
CID 3454989
N-(4-chlorophenyl)-4-[2-(2-ethylimidazol-1-yl)ethyl]piperazine-1-carboxamide
CID 90561847
4-[2-(2-ethylimidazol-1-yl)ethyl]-N-(4-fluorophenyl)piperazine-1-carboxamide
CID 90561851
methyl 4-[(1-benzylimidazol-2-yl)methyl]piperazine-1-carboxylate
CID 78900342
N-(5-chloro-2-pyridinyl)-1-[(1-ethylimidazol-2-yl)methyl]piperidine-4-carboxamide
CID 51104657

Frequently Asked Questions

What is the IUPAC name of 4-[(1-ethylimidazol-2-yl)methyl]-N-(1,2-thiazol-5-yl)-1,4-diazepane-1-carboxamide?
The IUPAC name of 4-[(1-ethylimidazol-2-yl)methyl]-N-(1,2-thiazol-5-yl)-1,4-diazepane-1-carboxamide (CID 138025789) is 4-[(1-ethylimidazol-2-yl)methyl]-N-(1,2-thiazol-5-yl)-1,4-diazepane-1-carboxamide.
What is the SMILES notation for 4-[(1-ethylimidazol-2-yl)methyl]-N-(1,2-thiazol-5-yl)-1,4-diazepane-1-carboxamide?
The canonical SMILES for 4-[(1-ethylimidazol-2-yl)methyl]-N-(1,2-thiazol-5-yl)-1,4-diazepane-1-carboxamide is CCn1ccnc1CN1CCCN(C(=O)Nc2ccns2)CC1.
What is the InChIKey of 4-[(1-ethylimidazol-2-yl)methyl]-N-(1,2-thiazol-5-yl)-1,4-diazepane-1-carboxamide?
The InChIKey is UNEZDJQIVDSWMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N6OS/c1-2-20-9-6-16-13(20)12-19-7-3-8-21(11-10-19)15(22)18-14-4-5-17-23-14/h4-6,9H,2-3,7-8,10-12H2,1H3,(H,18,22).
What are the key properties of 4-[(1-ethylimidazol-2-yl)methyl]-N-(1,2-thiazol-5-yl)-1,4-diazepane-1-carboxamide?
4-[(1-ethylimidazol-2-yl)methyl]-N-(1,2-thiazol-5-yl)-1,4-diazepane-1-carboxamide has a molecular weight of 334.45 g/mol, XLogP of 2.10, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1-ethylimidazol-2-yl)methyl]-N-(1,2-thiazol-5-yl)-1,4-diazepane-1-carboxamide is sourced from PubChem (CID 138025789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).