(2-amino-4-methyl-1,3-thiazol-5-yl)-[(2S)-2-(morpholin-4-ylmethyl)piperidin-1-yl]methanone

C15H24N4O2S — CID 99974262

IUPAC(2-amino-4-methyl-1,3-thiazol-5-yl)-[(2S)-2-(morpholin-4-ylmethyl)piperidin-1-yl]methanone
SMILESCc1nc(N)sc1C(=O)N1CCCC[C@H]1CN1CCOCC1
InChIInChI=1S/C15H24N4O2S/c1-11-13(22-15(16)17-11)14(20)19-5-3-2-4-12(19)10-18-6-8-21-9-7-18/h12H,2-10H2,1H3,(H2,16,17)/t12-/m0/s1
InChIKeyXBIJGAXFPGZCIB-LBPRGKRZSA-N
MW324.45 g/mol
LogP1.36
Rot. Bonds3

About (2-amino-4-methyl-1,3-thiazol-5-yl)-[(2S)-2-(morpholin-4-ylmethyl)piperidin-1-yl]methanone

(2-amino-4-methyl-1,3-thiazol-5-yl)-[(2S)-2-(morpholin-4-ylmethyl)piperidin-1-yl]methanone (PubChem CID 99974262) has the molecular formula C15H24N4O2S and a molecular weight of 324.45 g/mol. Its IUPAC name is (2-amino-4-methyl-1,3-thiazol-5-yl)-[(2S)-2-(morpholin-4-ylmethyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(2-amino-4-methyl-1,3-thiazol-5-yl)-[(2S)-2-(morpholin-4-ylmethyl)piperidin-1-yl]methanone
PubChem CID99974262
Molecular FormulaC15H24N4O2S
Molecular Weight324.45 g/mol
Exact Mass324.16
IUPAC Name(2-amino-4-methyl-1,3-thiazol-5-yl)-[(2S)-2-(morpholin-4-ylmethyl)piperidin-1-yl]methanone
SMILESCc1nc(N)sc1C(=O)N1CCCC[C@H]1CN1CCOCC1
InChIInChI=1S/C15H24N4O2S/c1-11-13(22-15(16)17-11)14(20)19-5-3-2-4-12(19)10-18-6-8-21-9-7-18/h12H,2-10H2,1H3,(H2,16,17)/t12-/m0/s1
InChIKeyXBIJGAXFPGZCIB-LBPRGKRZSA-N
XLogP1.36
TPSA71.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.45
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(2-amino-4-methyl-1,3-thiazol-5-yl)-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 94600348
[2-(azepan-1-ylmethyl)piperidin-1-yl]-[4-methyl-2-(methylamino)-1,3-thiazol-5-yl]methanone
CID 46969369
(2-amino-4-methyl-1,3-thiazol-5-yl)-[(3R)-3-methylmorpholin-4-yl]methanone
CID 94600145
(5-amino-2-methylphenyl)-[2-(morpholin-4-ylmethyl)piperidin-1-yl]methanone
CID 120646100
2-(morpholin-4-ylmethyl)piperidine-1-carbothioic S-acid
CID 91568400
(3,5-dimethoxyphenyl)-[(2R)-2-(morpholin-4-ylmethyl)piperidin-1-yl]methanone
CID 95348718
1-[3,5-dimethyl-4-[(2R)-2-(morpholin-4-ylmethyl)piperidine-1-carbonyl]-1H-pyrrol-2-yl]ethanone
CID 96573203
[2-(morpholin-4-ylmethyl)piperidin-1-yl]-(2-propyl-1,3-thiazol-4-yl)methanone
CID 70750085
N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-2-(morpholin-4-ylmethyl)pyrrolidine-1-carboxamide
CID 71867957
[2-(morpholin-4-ylmethyl)piperidin-1-yl]-(4-pyrrolidin-1-ylphenyl)methanone
CID 70717304
4-(2-amino-4-methyl-1,3-thiazole-5-carbonyl)-N-methylmorpholine-3-carboxamide
CID 83097443
(5-amino-2-methylphenyl)-[2-(morpholin-4-ylmethyl)pyrrolidin-1-yl]methanone;dihydrochloride
CID 120644954

Frequently Asked Questions

What is the IUPAC name of (2-amino-4-methyl-1,3-thiazol-5-yl)-[(2S)-2-(morpholin-4-ylmethyl)piperidin-1-yl]methanone?
The IUPAC name of (2-amino-4-methyl-1,3-thiazol-5-yl)-[(2S)-2-(morpholin-4-ylmethyl)piperidin-1-yl]methanone (CID 99974262) is (2-amino-4-methyl-1,3-thiazol-5-yl)-[(2S)-2-(morpholin-4-ylmethyl)piperidin-1-yl]methanone.
What is the SMILES notation for (2-amino-4-methyl-1,3-thiazol-5-yl)-[(2S)-2-(morpholin-4-ylmethyl)piperidin-1-yl]methanone?
The canonical SMILES for (2-amino-4-methyl-1,3-thiazol-5-yl)-[(2S)-2-(morpholin-4-ylmethyl)piperidin-1-yl]methanone is Cc1nc(N)sc1C(=O)N1CCCC[C@H]1CN1CCOCC1.
What is the InChIKey of (2-amino-4-methyl-1,3-thiazol-5-yl)-[(2S)-2-(morpholin-4-ylmethyl)piperidin-1-yl]methanone?
The InChIKey is XBIJGAXFPGZCIB-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H24N4O2S/c1-11-13(22-15(16)17-11)14(20)19-5-3-2-4-12(19)10-18-6-8-21-9-7-18/h12H,2-10H2,1H3,(H2,16,17)/t12-/m0/s1.
What are the key properties of (2-amino-4-methyl-1,3-thiazol-5-yl)-[(2S)-2-(morpholin-4-ylmethyl)piperidin-1-yl]methanone?
(2-amino-4-methyl-1,3-thiazol-5-yl)-[(2S)-2-(morpholin-4-ylmethyl)piperidin-1-yl]methanone has a molecular weight of 324.45 g/mol, XLogP of 1.36, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-4-methyl-1,3-thiazol-5-yl)-[(2S)-2-(morpholin-4-ylmethyl)piperidin-1-yl]methanone is sourced from PubChem (CID 99974262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).