4-[4-amino-2-(2-methylpropylamino)-1,3-thiazole-5-carbonyl]piperazin-2-one

C12H19N5O2S — CID 116668878

IUPAC4-[4-amino-2-(2-methylpropylamino)-1,3-thiazole-5-carbonyl]piperazin-2-one
SMILESCC(C)CNc1nc(N)c(C(=O)N2CCNC(=O)C2)s1
InChIInChI=1S/C12H19N5O2S/c1-7(2)5-15-12-16-10(13)9(20-12)11(19)17-4-3-14-8(18)6-17/h7H,3-6,13H2,1-2H3,(H,14,18)(H,15,16)
InChIKeyBKBNEFXJSRPFAC-UHFFFAOYSA-N
MW297.38 g/mol
LogP0.37
Rot. Bonds4

About 4-[4-amino-2-(2-methylpropylamino)-1,3-thiazole-5-carbonyl]piperazin-2-one

4-[4-amino-2-(2-methylpropylamino)-1,3-thiazole-5-carbonyl]piperazin-2-one (PubChem CID 116668878) has the molecular formula C12H19N5O2S and a molecular weight of 297.38 g/mol. Its IUPAC name is 4-[4-amino-2-(2-methylpropylamino)-1,3-thiazole-5-carbonyl]piperazin-2-one.

Molecular Properties

Compound Name4-[4-amino-2-(2-methylpropylamino)-1,3-thiazole-5-carbonyl]piperazin-2-one
PubChem CID116668878
Molecular FormulaC12H19N5O2S
Molecular Weight297.38 g/mol
Exact Mass297.13
IUPAC Name4-[4-amino-2-(2-methylpropylamino)-1,3-thiazole-5-carbonyl]piperazin-2-one
SMILESCC(C)CNc1nc(N)c(C(=O)N2CCNC(=O)C2)s1
InChIInChI=1S/C12H19N5O2S/c1-7(2)5-15-12-16-10(13)9(20-12)11(19)17-4-3-14-8(18)6-17/h7H,3-6,13H2,1-2H3,(H,14,18)(H,15,16)
InChIKeyBKBNEFXJSRPFAC-UHFFFAOYSA-N
XLogP0.37
TPSA100.35 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.38
LogP ≤ 50.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[4-amino-2-(2-methylpropylamino)-1,3-thiazole-5-carbonyl]piperazin-2-one?
The IUPAC name of 4-[4-amino-2-(2-methylpropylamino)-1,3-thiazole-5-carbonyl]piperazin-2-one (CID 116668878) is 4-[4-amino-2-(2-methylpropylamino)-1,3-thiazole-5-carbonyl]piperazin-2-one.
What is the SMILES notation for 4-[4-amino-2-(2-methylpropylamino)-1,3-thiazole-5-carbonyl]piperazin-2-one?
The canonical SMILES for 4-[4-amino-2-(2-methylpropylamino)-1,3-thiazole-5-carbonyl]piperazin-2-one is CC(C)CNc1nc(N)c(C(=O)N2CCNC(=O)C2)s1.
What is the InChIKey of 4-[4-amino-2-(2-methylpropylamino)-1,3-thiazole-5-carbonyl]piperazin-2-one?
The InChIKey is BKBNEFXJSRPFAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N5O2S/c1-7(2)5-15-12-16-10(13)9(20-12)11(19)17-4-3-14-8(18)6-17/h7H,3-6,13H2,1-2H3,(H,14,18)(H,15,16).
What are the key properties of 4-[4-amino-2-(2-methylpropylamino)-1,3-thiazole-5-carbonyl]piperazin-2-one?
4-[4-amino-2-(2-methylpropylamino)-1,3-thiazole-5-carbonyl]piperazin-2-one has a molecular weight of 297.38 g/mol, XLogP of 0.37, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-amino-2-(2-methylpropylamino)-1,3-thiazole-5-carbonyl]piperazin-2-one is sourced from PubChem (CID 116668878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).