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

C13H24N4S — CID 106052580

IUPACN-[2-(1,4-diazepan-1-yl)ethyl]-2-(2-methyl-1,3-thiazol-4-yl)ethanamine
SMILESCc1nc(CCNCCN2CCCNCC2)cs1
InChIInChI=1S/C13H24N4S/c1-12-16-13(11-18-12)3-5-15-7-10-17-8-2-4-14-6-9-17/h11,14-15H,2-10H2,1H3
InChIKeyQHIHVFIKEOJRMR-UHFFFAOYSA-N
MW268.43 g/mol
LogP0.88
Rot. Bonds6

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

N-[2-(1,4-diazepan-1-yl)ethyl]-2-(2-methyl-1,3-thiazol-4-yl)ethanamine (PubChem CID 106052580) has the molecular formula C13H24N4S and a molecular weight of 268.43 g/mol. Its IUPAC name is N-[2-(1,4-diazepan-1-yl)ethyl]-2-(2-methyl-1,3-thiazol-4-yl)ethanamine.

Molecular Properties

Compound NameN-[2-(1,4-diazepan-1-yl)ethyl]-2-(2-methyl-1,3-thiazol-4-yl)ethanamine
PubChem CID106052580
Molecular FormulaC13H24N4S
Molecular Weight268.43 g/mol
Exact Mass268.17
IUPAC NameN-[2-(1,4-diazepan-1-yl)ethyl]-2-(2-methyl-1,3-thiazol-4-yl)ethanamine
SMILESCc1nc(CCNCCN2CCCNCC2)cs1
InChIInChI=1S/C13H24N4S/c1-12-16-13(11-18-12)3-5-15-7-10-17-8-2-4-14-6-9-17/h11,14-15H,2-10H2,1H3
InChIKeyQHIHVFIKEOJRMR-UHFFFAOYSA-N
XLogP0.88
TPSA40.19 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.43
LogP ≤ 50.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-methyl-4-(2-piperazin-1-ylethyl)-1,3-thiazole
CID 82065439
N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-3-pyrrolidin-1-ylpropan-1-amine
CID 106045268
2-(1,4-diazepan-1-yl)-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]acetamide
CID 106047483
N-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-pyrrolidin-1-ylethanamine
CID 28781366
2-methyl-4-(piperazin-1-ylmethyl)-1,3-thiazole;dihydrochloride
CID 46735539
2-(4-methylpiperazin-1-yl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]ethanamine
CID 60701292
N-[(3-ethylpiperidin-3-yl)methyl]-2-(2-methyl-1,3-thiazol-4-yl)ethanamine
CID 114140857
2-methyl-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-2-piperazin-1-ylpropanamide
CID 103813479
2-methyl-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]propan-1-amine
CID 60760021
4-[2-(6,10-diazaspiro[4.6]undecan-10-yl)ethyl]-2-methyl-1,3-thiazole
CID 106043606
2-(1,4-diazepan-1-yl)-N-(2-methoxyethyl)ethanamine
CID 62832411
4-[2-(3-cyclopropyl-1,4-diazepan-1-yl)ethyl]-2-methyl-1,3-thiazole
CID 106043577

Frequently Asked Questions

What is the IUPAC name of N-[2-(1,4-diazepan-1-yl)ethyl]-2-(2-methyl-1,3-thiazol-4-yl)ethanamine?
The IUPAC name of N-[2-(1,4-diazepan-1-yl)ethyl]-2-(2-methyl-1,3-thiazol-4-yl)ethanamine (CID 106052580) is N-[2-(1,4-diazepan-1-yl)ethyl]-2-(2-methyl-1,3-thiazol-4-yl)ethanamine.
What is the SMILES notation for N-[2-(1,4-diazepan-1-yl)ethyl]-2-(2-methyl-1,3-thiazol-4-yl)ethanamine?
The canonical SMILES for N-[2-(1,4-diazepan-1-yl)ethyl]-2-(2-methyl-1,3-thiazol-4-yl)ethanamine is Cc1nc(CCNCCN2CCCNCC2)cs1.
What is the InChIKey of N-[2-(1,4-diazepan-1-yl)ethyl]-2-(2-methyl-1,3-thiazol-4-yl)ethanamine?
The InChIKey is QHIHVFIKEOJRMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4S/c1-12-16-13(11-18-12)3-5-15-7-10-17-8-2-4-14-6-9-17/h11,14-15H,2-10H2,1H3.
What are the key properties of N-[2-(1,4-diazepan-1-yl)ethyl]-2-(2-methyl-1,3-thiazol-4-yl)ethanamine?
N-[2-(1,4-diazepan-1-yl)ethyl]-2-(2-methyl-1,3-thiazol-4-yl)ethanamine has a molecular weight of 268.43 g/mol, XLogP of 0.88, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1,4-diazepan-1-yl)ethyl]-2-(2-methyl-1,3-thiazol-4-yl)ethanamine is sourced from PubChem (CID 106052580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).