[4-amino-2-[ethyl(methyl)amino]-1,3-thiazol-5-yl]-(7,7-dimethyl-1,4-thiazepan-4-yl)methanone

C14H24N4OS2 — CID 107460347

IUPAC[4-amino-2-[ethyl(methyl)amino]-1,3-thiazol-5-yl]-(7,7-dimethyl-1,4-thiazepan-4-yl)methanone
SMILESCCN(C)c1nc(N)c(C(=O)N2CCSC(C)(C)CC2)s1
InChIInChI=1S/C14H24N4OS2/c1-5-17(4)13-16-11(15)10(21-13)12(19)18-7-6-14(2,3)20-9-8-18/h5-9,15H2,1-4H3
InChIKeyOWCYFYXGUJVLNG-UHFFFAOYSA-N
MW328.51 g/mol
LogP2.54
Rot. Bonds3

About [4-amino-2-[ethyl(methyl)amino]-1,3-thiazol-5-yl]-(7,7-dimethyl-1,4-thiazepan-4-yl)methanone

[4-amino-2-[ethyl(methyl)amino]-1,3-thiazol-5-yl]-(7,7-dimethyl-1,4-thiazepan-4-yl)methanone (PubChem CID 107460347) has the molecular formula C14H24N4OS2 and a molecular weight of 328.51 g/mol. Its IUPAC name is [4-amino-2-[ethyl(methyl)amino]-1,3-thiazol-5-yl]-(7,7-dimethyl-1,4-thiazepan-4-yl)methanone.

Molecular Properties

Compound Name[4-amino-2-[ethyl(methyl)amino]-1,3-thiazol-5-yl]-(7,7-dimethyl-1,4-thiazepan-4-yl)methanone
PubChem CID107460347
Molecular FormulaC14H24N4OS2
Molecular Weight328.51 g/mol
Exact Mass328.14
IUPAC Name[4-amino-2-[ethyl(methyl)amino]-1,3-thiazol-5-yl]-(7,7-dimethyl-1,4-thiazepan-4-yl)methanone
SMILESCCN(C)c1nc(N)c(C(=O)N2CCSC(C)(C)CC2)s1
InChIInChI=1S/C14H24N4OS2/c1-5-17(4)13-16-11(15)10(21-13)12(19)18-7-6-14(2,3)20-9-8-18/h5-9,15H2,1-4H3
InChIKeyOWCYFYXGUJVLNG-UHFFFAOYSA-N
XLogP2.54
TPSA62.46 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.51
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[4-amino-2-[ethyl(methyl)amino]-1,3-thiazol-5-yl]-(2,2-dimethylthiomorpholin-4-yl)methanone
CID 116673581
[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]-(4-propylpiperazin-1-yl)methanone
CID 116663215
[4-amino-2-[ethyl(methyl)amino]-1,3-thiazol-5-yl]-(3-methoxy-3-methylpiperidin-1-yl)methanone
CID 107396564
[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-dihydroxypyrrolidin-1-yl)methanone
CID 106674692
[4-amino-2-[ethyl(methyl)amino]-1,3-thiazol-5-yl]-(4-ethylazepan-1-yl)methanone
CID 116666847
[4-amino-2-[ethyl(methyl)amino]-1,3-thiazol-5-yl]-(3,4-dimethylpiperidin-1-yl)methanone
CID 116673615
[4-amino-2-[methyl(propyl)amino]-1,3-thiazol-5-yl]-(3,3-dimethylpiperidin-1-yl)methanone
CID 116666687
[4-amino-2-(dimethylamino)-1,3-thiazol-5-yl]-(4,4-dimethylazepan-1-yl)methanone
CID 116667195
[4-amino-2-[ethyl(methyl)amino]-1,3-thiazol-5-yl]-(2-ethylmorpholin-4-yl)methanone
CID 116670210
[4-amino-2-[ethyl(methyl)amino]-1,3-thiazol-5-yl]-(2-methyl-1,4-oxazepan-4-yl)methanone
CID 116665720

Frequently Asked Questions

What is the IUPAC name of [4-amino-2-[ethyl(methyl)amino]-1,3-thiazol-5-yl]-(7,7-dimethyl-1,4-thiazepan-4-yl)methanone?
The IUPAC name of [4-amino-2-[ethyl(methyl)amino]-1,3-thiazol-5-yl]-(7,7-dimethyl-1,4-thiazepan-4-yl)methanone (CID 107460347) is [4-amino-2-[ethyl(methyl)amino]-1,3-thiazol-5-yl]-(7,7-dimethyl-1,4-thiazepan-4-yl)methanone.
What is the SMILES notation for [4-amino-2-[ethyl(methyl)amino]-1,3-thiazol-5-yl]-(7,7-dimethyl-1,4-thiazepan-4-yl)methanone?
The canonical SMILES for [4-amino-2-[ethyl(methyl)amino]-1,3-thiazol-5-yl]-(7,7-dimethyl-1,4-thiazepan-4-yl)methanone is CCN(C)c1nc(N)c(C(=O)N2CCSC(C)(C)CC2)s1.
What is the InChIKey of [4-amino-2-[ethyl(methyl)amino]-1,3-thiazol-5-yl]-(7,7-dimethyl-1,4-thiazepan-4-yl)methanone?
The InChIKey is OWCYFYXGUJVLNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4OS2/c1-5-17(4)13-16-11(15)10(21-13)12(19)18-7-6-14(2,3)20-9-8-18/h5-9,15H2,1-4H3.
What are the key properties of [4-amino-2-[ethyl(methyl)amino]-1,3-thiazol-5-yl]-(7,7-dimethyl-1,4-thiazepan-4-yl)methanone?
[4-amino-2-[ethyl(methyl)amino]-1,3-thiazol-5-yl]-(7,7-dimethyl-1,4-thiazepan-4-yl)methanone has a molecular weight of 328.51 g/mol, XLogP of 2.54, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-amino-2-[ethyl(methyl)amino]-1,3-thiazol-5-yl]-(7,7-dimethyl-1,4-thiazepan-4-yl)methanone is sourced from PubChem (CID 107460347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).