[4-amino-2-(dimethylamino)-1,3-thiazol-5-yl]-(4,4-dimethylazepan-1-yl)methanone

C14H24N4OS — CID 116667195

IUPAC[4-amino-2-(dimethylamino)-1,3-thiazol-5-yl]-(4,4-dimethylazepan-1-yl)methanone
SMILESCN(C)c1nc(N)c(C(=O)N2CCCC(C)(C)CC2)s1
InChIInChI=1S/C14H24N4OS/c1-14(2)6-5-8-18(9-7-14)12(19)10-11(15)16-13(20-10)17(3)4/h5-9,15H2,1-4H3
InChIKeyPMUCCROBFDNCOB-UHFFFAOYSA-N
MW296.44 g/mol
LogP2.44
Rot. Bonds2

About [4-amino-2-(dimethylamino)-1,3-thiazol-5-yl]-(4,4-dimethylazepan-1-yl)methanone

[4-amino-2-(dimethylamino)-1,3-thiazol-5-yl]-(4,4-dimethylazepan-1-yl)methanone (PubChem CID 116667195) has the molecular formula C14H24N4OS and a molecular weight of 296.44 g/mol. Its IUPAC name is [4-amino-2-(dimethylamino)-1,3-thiazol-5-yl]-(4,4-dimethylazepan-1-yl)methanone.

Molecular Properties

Compound Name[4-amino-2-(dimethylamino)-1,3-thiazol-5-yl]-(4,4-dimethylazepan-1-yl)methanone
PubChem CID116667195
Molecular FormulaC14H24N4OS
Molecular Weight296.44 g/mol
Exact Mass296.17
IUPAC Name[4-amino-2-(dimethylamino)-1,3-thiazol-5-yl]-(4,4-dimethylazepan-1-yl)methanone
SMILESCN(C)c1nc(N)c(C(=O)N2CCCC(C)(C)CC2)s1
InChIInChI=1S/C14H24N4OS/c1-14(2)6-5-8-18(9-7-14)12(19)10-11(15)16-13(20-10)17(3)4/h5-9,15H2,1-4H3
InChIKeyPMUCCROBFDNCOB-UHFFFAOYSA-N
XLogP2.44
TPSA62.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.44
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[4-amino-2-(dimethylamino)-1,3-thiazol-5-yl]-(3-hydroxy-3-methylpyrrolidin-1-yl)methanone
CID 103359055
[4-amino-2-(dimethylamino)-1,3-thiazol-5-yl]-(3-methoxy-3-methylpiperidin-1-yl)methanone
CID 107396563
[4-amino-2-(diethylamino)-1,3-thiazol-5-yl]-(3,3-dimethylpiperidin-1-yl)methanone
CID 116666684
[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-tert-butylpiperidin-1-yl)methanone
CID 116665166
[4-amino-2-(dimethylamino)-1,3-thiazol-5-yl]-[4-(methoxymethyl)piperidin-1-yl]methanone
CID 116666571
[4-amino-2-(dimethylamino)-1,3-thiazol-5-yl]-[3-(2-hydroxyethyl)piperidin-1-yl]methanone
CID 107229398
3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl-[4-amino-2-(dimethylamino)-1,3-thiazol-5-yl]methanone
CID 116671231
[4-amino-2-(dimethylamino)-1,3-thiazol-5-yl]-[3-(diethylamino)pyrrolidin-1-yl]methanone
CID 116665893
[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]-(7,7-dimethyl-1,4-thiazepan-4-yl)methanone
CID 107460347
[4-amino-2-(dimethylamino)-1,3-thiazol-5-yl]-[(2S,6R)-2,6-dimethylmorpholin-4-yl]methanone
CID 104961942

Frequently Asked Questions

What is the IUPAC name of [4-amino-2-(dimethylamino)-1,3-thiazol-5-yl]-(4,4-dimethylazepan-1-yl)methanone?
The IUPAC name of [4-amino-2-(dimethylamino)-1,3-thiazol-5-yl]-(4,4-dimethylazepan-1-yl)methanone (CID 116667195) is [4-amino-2-(dimethylamino)-1,3-thiazol-5-yl]-(4,4-dimethylazepan-1-yl)methanone.
What is the SMILES notation for [4-amino-2-(dimethylamino)-1,3-thiazol-5-yl]-(4,4-dimethylazepan-1-yl)methanone?
The canonical SMILES for [4-amino-2-(dimethylamino)-1,3-thiazol-5-yl]-(4,4-dimethylazepan-1-yl)methanone is CN(C)c1nc(N)c(C(=O)N2CCCC(C)(C)CC2)s1.
What is the InChIKey of [4-amino-2-(dimethylamino)-1,3-thiazol-5-yl]-(4,4-dimethylazepan-1-yl)methanone?
The InChIKey is PMUCCROBFDNCOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4OS/c1-14(2)6-5-8-18(9-7-14)12(19)10-11(15)16-13(20-10)17(3)4/h5-9,15H2,1-4H3.
What are the key properties of [4-amino-2-(dimethylamino)-1,3-thiazol-5-yl]-(4,4-dimethylazepan-1-yl)methanone?
[4-amino-2-(dimethylamino)-1,3-thiazol-5-yl]-(4,4-dimethylazepan-1-yl)methanone has a molecular weight of 296.44 g/mol, XLogP of 2.44, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-amino-2-(dimethylamino)-1,3-thiazol-5-yl]-(4,4-dimethylazepan-1-yl)methanone is sourced from PubChem (CID 116667195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).