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

C14H25N3S — CID 64951418

IUPAC2-[1-(3-ethyl-3-methyl-1,4-diazepan-1-yl)propyl]-1,3-thiazole
SMILESCCC(c1nccs1)N1CCCNC(C)(CC)C1
InChIInChI=1S/C14H25N3S/c1-4-12(13-15-8-10-18-13)17-9-6-7-16-14(3,5-2)11-17/h8,10,12,16H,4-7,9,11H2,1-3H3
InChIKeyHXZKCDRDASYFEE-UHFFFAOYSA-N
MW267.44 g/mol
LogP3.06
Rot. Bonds4

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

2-[1-(3-ethyl-3-methyl-1,4-diazepan-1-yl)propyl]-1,3-thiazole (PubChem CID 64951418) has the molecular formula C14H25N3S and a molecular weight of 267.44 g/mol. Its IUPAC name is 2-[1-(3-ethyl-3-methyl-1,4-diazepan-1-yl)propyl]-1,3-thiazole.

Molecular Properties

Compound Name2-[1-(3-ethyl-3-methyl-1,4-diazepan-1-yl)propyl]-1,3-thiazole
PubChem CID64951418
Molecular FormulaC14H25N3S
Molecular Weight267.44 g/mol
Exact Mass267.18
IUPAC Name2-[1-(3-ethyl-3-methyl-1,4-diazepan-1-yl)propyl]-1,3-thiazole
SMILESCCC(c1nccs1)N1CCCNC(C)(CC)C1
InChIInChI=1S/C14H25N3S/c1-4-12(13-15-8-10-18-13)17-9-6-7-16-14(3,5-2)11-17/h8,10,12,16H,4-7,9,11H2,1-3H3
InChIKeyHXZKCDRDASYFEE-UHFFFAOYSA-N
XLogP3.06
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.44
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1,3-Thiazol-2-yl)butan-2-amine
CID 53534946
1-(1,3-Thiazol-2-yl)ethan-1-amine
CID 19896985
2-(1,3-Thiazol-2-yl)propan-2-amine
CID 28286203
1-[1-(1,3-Thiazol-2-yl)ethyl]piperazine
CID 45789030
2-methyl-N-(1,3-thiazol-2-ylmethyl)propan-1-amine dihydrochloride
CID 46784224
1-(1,3-Thiazol-2-yl)ethan-1-amine hydrochloride
CID 56777102
1-Isopropyl-4-(1,3-thiazol-2-ylmethyl)-1,4-diazepane
CID 117683787
Methyl[2-(1,3-thiazol-2-yl)propyl]amine
CID 64989109
(1R)-1-(1,3-thiazol-2-yl)propan-1-amine dihydrochloride
CID 170911662
(1S)-1-(1,3-thiazol-2-yl)propan-1-amine dihydrochloride
CID 170912706
(alphaS)-alpha-Methyl-2-thiazolemethanamine
CID 10725371
(2S)-N-(3-methylsulfonylpropyl)-2-(1,3-thiazol-2-yl)butan-2-amine
CID 96519861

Frequently Asked Questions

What is the IUPAC name of 2-[1-(3-ethyl-3-methyl-1,4-diazepan-1-yl)propyl]-1,3-thiazole?
The IUPAC name of 2-[1-(3-ethyl-3-methyl-1,4-diazepan-1-yl)propyl]-1,3-thiazole (CID 64951418) is 2-[1-(3-ethyl-3-methyl-1,4-diazepan-1-yl)propyl]-1,3-thiazole.
What is the SMILES notation for 2-[1-(3-ethyl-3-methyl-1,4-diazepan-1-yl)propyl]-1,3-thiazole?
The canonical SMILES for 2-[1-(3-ethyl-3-methyl-1,4-diazepan-1-yl)propyl]-1,3-thiazole is CCC(c1nccs1)N1CCCNC(C)(CC)C1.
What is the InChIKey of 2-[1-(3-ethyl-3-methyl-1,4-diazepan-1-yl)propyl]-1,3-thiazole?
The InChIKey is HXZKCDRDASYFEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3S/c1-4-12(13-15-8-10-18-13)17-9-6-7-16-14(3,5-2)11-17/h8,10,12,16H,4-7,9,11H2,1-3H3.
What are the key properties of 2-[1-(3-ethyl-3-methyl-1,4-diazepan-1-yl)propyl]-1,3-thiazole?
2-[1-(3-ethyl-3-methyl-1,4-diazepan-1-yl)propyl]-1,3-thiazole has a molecular weight of 267.44 g/mol, XLogP of 3.06, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(3-ethyl-3-methyl-1,4-diazepan-1-yl)propyl]-1,3-thiazole is sourced from PubChem (CID 64951418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).