[4-amino-2-(propan-2-ylamino)-1,3-thiazol-5-yl]-(5-ethyl-2-methylmorpholin-4-yl)methanone

C14H24N4O2S — CID 116663232

IUPAC[4-amino-2-(propan-2-ylamino)-1,3-thiazol-5-yl]-(5-ethyl-2-methylmorpholin-4-yl)methanone
SMILESCCC1COC(C)CN1C(=O)c1sc(NC(C)C)nc1N
InChIInChI=1S/C14H24N4O2S/c1-5-10-7-20-9(4)6-18(10)13(19)11-12(15)17-14(21-11)16-8(2)3/h8-10H,5-7,15H2,1-4H3,(H,16,17)
InChIKeyRNQVUGGSUJEWTP-UHFFFAOYSA-N
MW312.44 g/mol
LogP2.19
Rot. Bonds4

About [4-amino-2-(propan-2-ylamino)-1,3-thiazol-5-yl]-(5-ethyl-2-methylmorpholin-4-yl)methanone

[4-amino-2-(propan-2-ylamino)-1,3-thiazol-5-yl]-(5-ethyl-2-methylmorpholin-4-yl)methanone (PubChem CID 116663232) has the molecular formula C14H24N4O2S and a molecular weight of 312.44 g/mol. Its IUPAC name is [4-amino-2-(propan-2-ylamino)-1,3-thiazol-5-yl]-(5-ethyl-2-methylmorpholin-4-yl)methanone.

Molecular Properties

Compound Name[4-amino-2-(propan-2-ylamino)-1,3-thiazol-5-yl]-(5-ethyl-2-methylmorpholin-4-yl)methanone
PubChem CID116663232
Molecular FormulaC14H24N4O2S
Molecular Weight312.44 g/mol
Exact Mass312.16
IUPAC Name[4-amino-2-(propan-2-ylamino)-1,3-thiazol-5-yl]-(5-ethyl-2-methylmorpholin-4-yl)methanone
SMILESCCC1COC(C)CN1C(=O)c1sc(NC(C)C)nc1N
InChIInChI=1S/C14H24N4O2S/c1-5-10-7-20-9(4)6-18(10)13(19)11-12(15)17-14(21-11)16-8(2)3/h8-10H,5-7,15H2,1-4H3,(H,16,17)
InChIKeyRNQVUGGSUJEWTP-UHFFFAOYSA-N
XLogP2.19
TPSA80.48 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.44
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

[4-amino-2-(propan-2-ylamino)-1,3-thiazol-5-yl]-(2-ethylazepan-1-yl)methanone
CID 116673045
[4-amino-2-(propan-2-ylamino)-1,3-thiazol-5-yl]-[2-(hydroxymethyl)piperidin-1-yl]methanone
CID 116663088
[4-amino-2-(propan-2-ylamino)-1,3-thiazol-5-yl]-(2-methylpiperidin-1-yl)methanone
CID 116667556
[4-amino-2-(propan-2-ylamino)-1,3-thiazol-5-yl]-(3-methylpiperidin-1-yl)methanone
CID 116667814
[4-amino-2-(propan-2-ylamino)-1,3-thiazol-5-yl]-(4-propan-2-ylpiperidin-1-yl)methanone
CID 103504884
[4-amino-2-(propan-2-ylamino)-1,3-thiazol-5-yl]-(azepan-1-yl)methanone
CID 116667849
[4-amino-2-(propan-2-ylamino)-1,3-thiazol-5-yl]-[3-(1-hydroxyethyl)pyrrolidin-1-yl]methanone
CID 116672270
[3-(aminomethyl)pyrrolidin-1-yl]-[4-amino-2-(propan-2-ylamino)-1,3-thiazol-5-yl]methanone
CID 116665159
(5-ethyl-2-methylmorpholin-4-yl)-[2-(propan-2-ylamino)phenyl]methanone
CID 63107721
2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl-[4-amino-2-(propan-2-ylamino)-1,3-thiazol-5-yl]methanone
CID 116667217
[4-amino-2-(2-methylpropylamino)-1,3-thiazol-5-yl]-(2-ethylpiperidin-1-yl)methanone
CID 116669484
(3,5-diaminophenyl)-(5-ethyl-2-methylmorpholin-4-yl)methanone
CID 61093877

Frequently Asked Questions

What is the IUPAC name of [4-amino-2-(propan-2-ylamino)-1,3-thiazol-5-yl]-(5-ethyl-2-methylmorpholin-4-yl)methanone?
The IUPAC name of [4-amino-2-(propan-2-ylamino)-1,3-thiazol-5-yl]-(5-ethyl-2-methylmorpholin-4-yl)methanone (CID 116663232) is [4-amino-2-(propan-2-ylamino)-1,3-thiazol-5-yl]-(5-ethyl-2-methylmorpholin-4-yl)methanone.
What is the SMILES notation for [4-amino-2-(propan-2-ylamino)-1,3-thiazol-5-yl]-(5-ethyl-2-methylmorpholin-4-yl)methanone?
The canonical SMILES for [4-amino-2-(propan-2-ylamino)-1,3-thiazol-5-yl]-(5-ethyl-2-methylmorpholin-4-yl)methanone is CCC1COC(C)CN1C(=O)c1sc(NC(C)C)nc1N.
What is the InChIKey of [4-amino-2-(propan-2-ylamino)-1,3-thiazol-5-yl]-(5-ethyl-2-methylmorpholin-4-yl)methanone?
The InChIKey is RNQVUGGSUJEWTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O2S/c1-5-10-7-20-9(4)6-18(10)13(19)11-12(15)17-14(21-11)16-8(2)3/h8-10H,5-7,15H2,1-4H3,(H,16,17).
What are the key properties of [4-amino-2-(propan-2-ylamino)-1,3-thiazol-5-yl]-(5-ethyl-2-methylmorpholin-4-yl)methanone?
[4-amino-2-(propan-2-ylamino)-1,3-thiazol-5-yl]-(5-ethyl-2-methylmorpholin-4-yl)methanone has a molecular weight of 312.44 g/mol, XLogP of 2.19, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-amino-2-(propan-2-ylamino)-1,3-thiazol-5-yl]-(5-ethyl-2-methylmorpholin-4-yl)methanone is sourced from PubChem (CID 116663232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).