[4-amino-2-[ethyl(methyl)amino]-1,3-thiazol-5-yl]-(4-ethylazepan-1-yl)methanone

C15H26N4OS — CID 116666847

IUPAC[4-amino-2-[ethyl(methyl)amino]-1,3-thiazol-5-yl]-(4-ethylazepan-1-yl)methanone
SMILESCCC1CCCN(C(=O)c2sc(N(C)CC)nc2N)CC1
InChIInChI=1S/C15H26N4OS/c1-4-11-7-6-9-19(10-8-11)14(20)12-13(16)17-15(21-12)18(3)5-2/h11H,4-10,16H2,1-3H3
InChIKeyIVNKGAKVDAVYRG-UHFFFAOYSA-N
MW310.47 g/mol
LogP2.83
Rot. Bonds4

About [4-amino-2-[ethyl(methyl)amino]-1,3-thiazol-5-yl]-(4-ethylazepan-1-yl)methanone

[4-amino-2-[ethyl(methyl)amino]-1,3-thiazol-5-yl]-(4-ethylazepan-1-yl)methanone (PubChem CID 116666847) has the molecular formula C15H26N4OS and a molecular weight of 310.47 g/mol. Its IUPAC name is [4-amino-2-[ethyl(methyl)amino]-1,3-thiazol-5-yl]-(4-ethylazepan-1-yl)methanone.

Molecular Properties

Compound Name[4-amino-2-[ethyl(methyl)amino]-1,3-thiazol-5-yl]-(4-ethylazepan-1-yl)methanone
PubChem CID116666847
Molecular FormulaC15H26N4OS
Molecular Weight310.47 g/mol
Exact Mass310.18
IUPAC Name[4-amino-2-[ethyl(methyl)amino]-1,3-thiazol-5-yl]-(4-ethylazepan-1-yl)methanone
SMILESCCC1CCCN(C(=O)c2sc(N(C)CC)nc2N)CC1
InChIInChI=1S/C15H26N4OS/c1-4-11-7-6-9-19(10-8-11)14(20)12-13(16)17-15(21-12)18(3)5-2/h11H,4-10,16H2,1-3H3
InChIKeyIVNKGAKVDAVYRG-UHFFFAOYSA-N
XLogP2.83
TPSA62.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.47
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[4-amino-2-[ethyl(methyl)amino]-1,3-thiazol-5-yl]-[4-(dimethylamino)piperidin-1-yl]methanone
CID 116670407
[4-amino-2-[ethyl(methyl)amino]-1,3-thiazol-5-yl]-[3-(2-hydroxyethyl)piperidin-1-yl]methanone
CID 107229399
[4-amino-2-[ethyl(methyl)amino]-1,3-thiazol-5-yl]-(1,4-oxazepan-4-yl)methanone
CID 116665736
[4-amino-2-[ethyl(methyl)amino]-1,3-thiazol-5-yl]-(3,4-dimethylpiperidin-1-yl)methanone
CID 116673615
[4-amino-2-(diethylamino)-1,3-thiazol-5-yl]-(3-ethylpyrrolidin-1-yl)methanone
CID 116672441
[4-amino-2-[ethyl(methyl)amino]-1,3-thiazol-5-yl]-(3,4-dihydroxypyrrolidin-1-yl)methanone
CID 106674692
[4-amino-2-[ethyl(methyl)amino]-1,3-thiazol-5-yl]-(2-methyl-1,4-oxazepan-4-yl)methanone
CID 116665720
[4-amino-2-[ethyl(methyl)amino]-1,3-thiazol-5-yl]-(4-propylpiperazin-1-yl)methanone
CID 116663215
[4-amino-2-[ethyl(methyl)amino]-1,3-thiazol-5-yl]-(2,6-dimethylpiperidin-1-yl)methanone
CID 116668941
[4-amino-2-[ethyl(methyl)amino]-1,3-thiazol-5-yl]-(2-ethylmorpholin-4-yl)methanone
CID 116670210
4-amino-N-(cyclopentylmethyl)-2-[ethyl(methyl)amino]-N-methyl-1,3-thiazole-5-carboxamide
CID 116666232
[4-amino-2-(dimethylamino)-1,3-thiazol-5-yl]-[4-(methoxymethyl)piperidin-1-yl]methanone
CID 116666571

Frequently Asked Questions

What is the IUPAC name of [4-amino-2-[ethyl(methyl)amino]-1,3-thiazol-5-yl]-(4-ethylazepan-1-yl)methanone?
The IUPAC name of [4-amino-2-[ethyl(methyl)amino]-1,3-thiazol-5-yl]-(4-ethylazepan-1-yl)methanone (CID 116666847) is [4-amino-2-[ethyl(methyl)amino]-1,3-thiazol-5-yl]-(4-ethylazepan-1-yl)methanone.
What is the SMILES notation for [4-amino-2-[ethyl(methyl)amino]-1,3-thiazol-5-yl]-(4-ethylazepan-1-yl)methanone?
The canonical SMILES for [4-amino-2-[ethyl(methyl)amino]-1,3-thiazol-5-yl]-(4-ethylazepan-1-yl)methanone is CCC1CCCN(C(=O)c2sc(N(C)CC)nc2N)CC1.
What is the InChIKey of [4-amino-2-[ethyl(methyl)amino]-1,3-thiazol-5-yl]-(4-ethylazepan-1-yl)methanone?
The InChIKey is IVNKGAKVDAVYRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4OS/c1-4-11-7-6-9-19(10-8-11)14(20)12-13(16)17-15(21-12)18(3)5-2/h11H,4-10,16H2,1-3H3.
What are the key properties of [4-amino-2-[ethyl(methyl)amino]-1,3-thiazol-5-yl]-(4-ethylazepan-1-yl)methanone?
[4-amino-2-[ethyl(methyl)amino]-1,3-thiazol-5-yl]-(4-ethylazepan-1-yl)methanone has a molecular weight of 310.47 g/mol, XLogP of 2.83, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-amino-2-[ethyl(methyl)amino]-1,3-thiazol-5-yl]-(4-ethylazepan-1-yl)methanone is sourced from PubChem (CID 116666847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).