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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[4-amino-2-(2-methylpropylamino)-1,3-thiazole-5-carbonyl]-1,4-diazepan-2-one
CID 116667228
3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl-[4-amino-2-(2-methylpropylamino)-1,3-thiazol-5-yl]methanone
CID 116672146
[4-amino-2-(2-methylpropylamino)-1,3-thiazol-5-yl]-[3-(aminomethyl)pyrrolidin-1-yl]methanone
CID 116665156
4-amino-N-cyclopropyl-2-(2-methylpropylamino)-1,3-thiazole-5-carboxamide
CID 116667655
[4-amino-2-(ethylamino)-1,3-thiazol-5-yl]-(1,4-diazepan-1-yl)methanone
CID 116662886
[4-amino-2-(2-methylpropylamino)-1,3-thiazol-5-yl]-(2-ethylpiperidin-1-yl)methanone
CID 116669484
[4-amino-2-(methylamino)-1,3-thiazol-5-yl]-piperazin-1-ylmethanone
CID 116662866
4-amino-N-cyclopentyl-2-(2-methylpropylamino)-1,3-thiazole-5-carboxamide
CID 116667691
[4-amino-2-(ethylamino)-1,3-thiazol-5-yl]-(4-propan-2-ylpiperidin-1-yl)methanone
CID 103504889
4-[2-(aminomethyl)-1,3-thiazole-4-carbonyl]piperazin-2-one
CID 66378570
[4-amino-2-(propan-2-ylamino)-1,3-thiazol-5-yl]-(azepan-1-yl)methanone
CID 116667849
[4-amino-2-(propylamino)-1,3-thiazol-5-yl]-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)methanone
CID 106317405

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).