1-[4-amino-2-(piperidin-3-ylamino)-1,3-thiazol-5-yl]ethanone;methane

C11H20N4OS — CID 157403959

IUPAC1-[4-amino-2-(piperidin-3-ylamino)-1,3-thiazol-5-yl]ethanone;methane
SMILESC.CC(=O)c1sc(NC2CCCNC2)nc1N
InChIInChI=1S/C10H16N4OS.CH4/c1-6(15)8-9(11)14-10(16-8)13-7-3-2-4-12-5-7;/h7,12H,2-5,11H2,1H3,(H,13,14);1H4
InChIKeyBNMNUMMKCOUWMT-UHFFFAOYSA-N
MW256.37 g/mol
LogP1.73
Rot. Bonds3

About 1-[4-amino-2-(piperidin-3-ylamino)-1,3-thiazol-5-yl]ethanone;methane

1-[4-amino-2-(piperidin-3-ylamino)-1,3-thiazol-5-yl]ethanone;methane (PubChem CID 157403959) has the molecular formula C11H20N4OS and a molecular weight of 256.37 g/mol. Its IUPAC name is 1-[4-amino-2-(piperidin-3-ylamino)-1,3-thiazol-5-yl]ethanone;methane.

Molecular Properties

Compound Name1-[4-amino-2-(piperidin-3-ylamino)-1,3-thiazol-5-yl]ethanone;methane
PubChem CID157403959
Molecular FormulaC11H20N4OS
Molecular Weight256.37 g/mol
Exact Mass256.14
IUPAC Name1-[4-amino-2-(piperidin-3-ylamino)-1,3-thiazol-5-yl]ethanone;methane
SMILESC.CC(=O)c1sc(NC2CCCNC2)nc1N
InChIInChI=1S/C10H16N4OS.CH4/c1-6(15)8-9(11)14-10(16-8)13-7-3-2-4-12-5-7;/h7,12H,2-5,11H2,1H3,(H,13,14);1H4
InChIKeyBNMNUMMKCOUWMT-UHFFFAOYSA-N
XLogP1.73
TPSA80.04 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.37
LogP ≤ 51.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

4-amino-2-(methylamino)-N-[(3S)-piperidin-3-yl]-1,3-thiazole-5-carboxamide
CID 45107290
1-[4-amino-2-[(1-tert-butylpiperidin-3-yl)amino]-1,3-thiazol-5-yl]ethanone
CID 91409364
4-amino-2-(cyclobutylamino)-N-methyl-N-piperidin-4-yl-1,3-thiazole-5-carboxamide
CID 116663032
4-amino-2-[4-(dimethylamino)anilino]-N-piperidin-3-yl-1,3-thiazole-5-carboxamide
CID 75092259
4-amino-2-(cyclobutylamino)-N-cyclopropyl-1,3-thiazole-5-carboxamide
CID 116667658
4-amino-2-(4-carbamoylanilino)-N-[(3S)-piperidin-3-yl]-1,3-thiazole-5-carboxamide
CID 45107364
4-amino-2-(benzylamino)-N-piperidin-3-yl-1,3-thiazole-5-carboxamide
CID 75092258
ethyl 4-amino-2-(cyclobutylamino)-1,3-thiazole-5-carboxylate
CID 116674025
N-piperidin-3-yl-5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-amine
CID 83839279
4-amino-2-(cyclopropylamino)-N-(3-methylcyclobutyl)-1,3-thiazole-5-carboxamide
CID 116673291
4-amino-N-(2-amino-2-oxoethyl)-2-(cyclobutylamino)-N-methyl-1,3-thiazole-5-carboxamide
CID 116669863
4-amino-2-(cyclobutylamino)-N-(3-methylpentan-3-yl)-1,3-thiazole-5-carboxamide
CID 106332505

Frequently Asked Questions

What is the IUPAC name of 1-[4-amino-2-(piperidin-3-ylamino)-1,3-thiazol-5-yl]ethanone;methane?
The IUPAC name of 1-[4-amino-2-(piperidin-3-ylamino)-1,3-thiazol-5-yl]ethanone;methane (CID 157403959) is 1-[4-amino-2-(piperidin-3-ylamino)-1,3-thiazol-5-yl]ethanone;methane.
What is the SMILES notation for 1-[4-amino-2-(piperidin-3-ylamino)-1,3-thiazol-5-yl]ethanone;methane?
The canonical SMILES for 1-[4-amino-2-(piperidin-3-ylamino)-1,3-thiazol-5-yl]ethanone;methane is C.CC(=O)c1sc(NC2CCCNC2)nc1N.
What is the InChIKey of 1-[4-amino-2-(piperidin-3-ylamino)-1,3-thiazol-5-yl]ethanone;methane?
The InChIKey is BNMNUMMKCOUWMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4OS.CH4/c1-6(15)8-9(11)14-10(16-8)13-7-3-2-4-12-5-7;/h7,12H,2-5,11H2,1H3,(H,13,14);1H4.
What are the key properties of 1-[4-amino-2-(piperidin-3-ylamino)-1,3-thiazol-5-yl]ethanone;methane?
1-[4-amino-2-(piperidin-3-ylamino)-1,3-thiazol-5-yl]ethanone;methane has a molecular weight of 256.37 g/mol, XLogP of 1.73, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-amino-2-(piperidin-3-ylamino)-1,3-thiazol-5-yl]ethanone;methane is sourced from PubChem (CID 157403959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).