2-[2-(3-ethyl-1,4-diazepan-1-yl)propan-2-yl]-1,3-thiazole

C13H23N3S — CID 114129910

IUPAC2-[2-(3-ethyl-1,4-diazepan-1-yl)propan-2-yl]-1,3-thiazole
SMILESCCC1CN(C(C)(C)c2nccs2)CCCN1
InChIInChI=1S/C13H23N3S/c1-4-11-10-16(8-5-6-14-11)13(2,3)12-15-7-9-17-12/h7,9,11,14H,4-6,8,10H2,1-3H3
InChIKeyRDWAJQLTIRRSLU-UHFFFAOYSA-N
MW253.41 g/mol
LogP2.45
Rot. Bonds3

About 2-[2-(3-ethyl-1,4-diazepan-1-yl)propan-2-yl]-1,3-thiazole

2-[2-(3-ethyl-1,4-diazepan-1-yl)propan-2-yl]-1,3-thiazole (PubChem CID 114129910) has the molecular formula C13H23N3S and a molecular weight of 253.41 g/mol. Its IUPAC name is 2-[2-(3-ethyl-1,4-diazepan-1-yl)propan-2-yl]-1,3-thiazole.

Molecular Properties

Compound Name2-[2-(3-ethyl-1,4-diazepan-1-yl)propan-2-yl]-1,3-thiazole
PubChem CID114129910
Molecular FormulaC13H23N3S
Molecular Weight253.41 g/mol
Exact Mass253.16
IUPAC Name2-[2-(3-ethyl-1,4-diazepan-1-yl)propan-2-yl]-1,3-thiazole
SMILESCCC1CN(C(C)(C)c2nccs2)CCCN1
InChIInChI=1S/C13H23N3S/c1-4-11-10-16(8-5-6-14-11)13(2,3)12-15-7-9-17-12/h7,9,11,14H,4-6,8,10H2,1-3H3
InChIKeyRDWAJQLTIRRSLU-UHFFFAOYSA-N
XLogP2.45
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.41
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-ethyl-1-(3-methylpentan-3-yl)-1,4-diazepane
CID 106329845
N-(3-piperidin-2-ylpropyl)-2-(1,3-thiazol-2-yl)propan-2-amine
CID 114132023
N-[(4-ethylpiperidin-2-yl)methyl]-2-(1,3-thiazol-2-yl)propan-2-amine
CID 114132011
2-[(2,5-diethylpiperazin-1-yl)methyl]-1,3-thiazole
CID 64946674
2-pyrrolidin-2-yl-N-[2-(1,3-thiazol-2-yl)butan-2-yl]acetamide;dihydrochloride
CID 119892436
2-[1-(3-ethyl-1,4-diazepan-1-yl)ethyl]-4-methyl-1,3-thiazole
CID 64950434
2-(2-piperazin-1-ylpropan-2-yl)-4-(1,3-thiazol-2-yl)-1,3-thiazole
CID 64988735
3-ethyl-1-methyl-1,4-diazepane;dihydrochloride
CID 91647799
3-benzyl-1-(3-ethylpentan-3-yl)-1,4-diazepane
CID 65043688
3-ethyl-1-pentan-3-yl-1,4-diazepane
CID 64943503
3-ethyl-1-[(3-methyl-2-pyridinyl)methyl]-1,4-diazepane
CID 64950792
1-(2,2-difluoro-2-phenylethyl)-3-ethyl-1,4-diazepane
CID 116790827

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-ethyl-1,4-diazepan-1-yl)propan-2-yl]-1,3-thiazole?
The IUPAC name of 2-[2-(3-ethyl-1,4-diazepan-1-yl)propan-2-yl]-1,3-thiazole (CID 114129910) is 2-[2-(3-ethyl-1,4-diazepan-1-yl)propan-2-yl]-1,3-thiazole.
What is the SMILES notation for 2-[2-(3-ethyl-1,4-diazepan-1-yl)propan-2-yl]-1,3-thiazole?
The canonical SMILES for 2-[2-(3-ethyl-1,4-diazepan-1-yl)propan-2-yl]-1,3-thiazole is CCC1CN(C(C)(C)c2nccs2)CCCN1.
What is the InChIKey of 2-[2-(3-ethyl-1,4-diazepan-1-yl)propan-2-yl]-1,3-thiazole?
The InChIKey is RDWAJQLTIRRSLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3S/c1-4-11-10-16(8-5-6-14-11)13(2,3)12-15-7-9-17-12/h7,9,11,14H,4-6,8,10H2,1-3H3.
What are the key properties of 2-[2-(3-ethyl-1,4-diazepan-1-yl)propan-2-yl]-1,3-thiazole?
2-[2-(3-ethyl-1,4-diazepan-1-yl)propan-2-yl]-1,3-thiazole has a molecular weight of 253.41 g/mol, XLogP of 2.45, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-ethyl-1,4-diazepan-1-yl)propan-2-yl]-1,3-thiazole is sourced from PubChem (CID 114129910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).