(2-amino-1,3-thiazol-4-yl)-[4-[(3S)-3-(hydroxymethyl)piperidin-1-yl]piperidin-1-yl]methanone

C15H24N4O2S — CID 125171855

IUPAC(2-amino-1,3-thiazol-4-yl)-[4-[(3S)-3-(hydroxymethyl)piperidin-1-yl]piperidin-1-yl]methanone
SMILESNc1nc(C(=O)N2CCC(N3CCC[C@H](CO)C3)CC2)cs1
InChIInChI=1S/C15H24N4O2S/c16-15-17-13(10-22-15)14(21)18-6-3-12(4-7-18)19-5-1-2-11(8-19)9-20/h10-12,20H,1-9H2,(H2,16,17)/t11-/m0/s1
InChIKeySGNANSLVFZBEML-NSHDSACASA-N
MW324.45 g/mol
LogP1.03
Rot. Bonds3

About (2-amino-1,3-thiazol-4-yl)-[4-[(3S)-3-(hydroxymethyl)piperidin-1-yl]piperidin-1-yl]methanone

(2-amino-1,3-thiazol-4-yl)-[4-[(3S)-3-(hydroxymethyl)piperidin-1-yl]piperidin-1-yl]methanone (PubChem CID 125171855) has the molecular formula C15H24N4O2S and a molecular weight of 324.45 g/mol. Its IUPAC name is (2-amino-1,3-thiazol-4-yl)-[4-[(3S)-3-(hydroxymethyl)piperidin-1-yl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name(2-amino-1,3-thiazol-4-yl)-[4-[(3S)-3-(hydroxymethyl)piperidin-1-yl]piperidin-1-yl]methanone
PubChem CID125171855
Molecular FormulaC15H24N4O2S
Molecular Weight324.45 g/mol
Exact Mass324.16
IUPAC Name(2-amino-1,3-thiazol-4-yl)-[4-[(3S)-3-(hydroxymethyl)piperidin-1-yl]piperidin-1-yl]methanone
SMILESNc1nc(C(=O)N2CCC(N3CCC[C@H](CO)C3)CC2)cs1
InChIInChI=1S/C15H24N4O2S/c16-15-17-13(10-22-15)14(21)18-6-3-12(4-7-18)19-5-1-2-11(8-19)9-20/h10-12,20H,1-9H2,(H2,16,17)/t11-/m0/s1
InChIKeySGNANSLVFZBEML-NSHDSACASA-N
XLogP1.03
TPSA82.69 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.45
LogP ≤ 51.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze (2-amino-1,3-thiazol-4-yl)-[4-[(3S)-3-(hydroxymethyl)piperidin-1-yl]piperidin-1-yl]methanone with MolForge

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Related Compounds

(2-amino-1,3-thiazol-4-yl)-(azepan-1-yl)methanone
CID 62793149
(2-amino-1,3-thiazol-4-yl)-[4-(methoxymethyl)piperidin-1-yl]methanone
CID 63977856
(2-amino-1,3-thiazol-4-yl)-(3-methoxypiperidin-1-yl)methanone
CID 102957562
1-[1-(2-amino-1,3-thiazole-4-carbonyl)piperidin-4-yl]imidazolidin-2-one
CID 62787379
[2-(1-aminoethyl)-1,3-thiazol-4-yl]-[3-(hydroxymethyl)piperidin-1-yl]methanone
CID 66389634
[4-(2-amino-1,3-thiazole-4-carbonyl)piperazin-1-yl]-cyclopropylmethanone
CID 62787370
[1-(2-amino-1,3-thiazole-4-carbonyl)piperidin-4-yl]carbamic acid
CID 134208778
(2-amino-1,3-thiazol-4-yl)-[3-(dimethylamino)pyrrolidin-1-yl]methanone
CID 63167267
(2-amino-1,3-thiazol-4-yl)-(4-cyclopropyl-2-methylpiperazin-1-yl)methanone
CID 157019213
ethyl 1-(2-amino-1,3-thiazole-4-carbonyl)piperidine-4-carboxylate
CID 62788546
(2-fluoro-4-hydroxyphenyl)-[4-[(3R)-3-(hydroxymethyl)piperidin-1-yl]piperidin-1-yl]methanone
CID 99928743
(2-amino-1,3-thiazol-4-yl)-[4-(2,3-dihydro-1H-inden-2-yl)piperazin-1-yl]methanone
CID 118774810

Frequently Asked Questions

What is the IUPAC name of (2-amino-1,3-thiazol-4-yl)-[4-[(3S)-3-(hydroxymethyl)piperidin-1-yl]piperidin-1-yl]methanone?
The IUPAC name of (2-amino-1,3-thiazol-4-yl)-[4-[(3S)-3-(hydroxymethyl)piperidin-1-yl]piperidin-1-yl]methanone (CID 125171855) is (2-amino-1,3-thiazol-4-yl)-[4-[(3S)-3-(hydroxymethyl)piperidin-1-yl]piperidin-1-yl]methanone.
What is the SMILES notation for (2-amino-1,3-thiazol-4-yl)-[4-[(3S)-3-(hydroxymethyl)piperidin-1-yl]piperidin-1-yl]methanone?
The canonical SMILES for (2-amino-1,3-thiazol-4-yl)-[4-[(3S)-3-(hydroxymethyl)piperidin-1-yl]piperidin-1-yl]methanone is Nc1nc(C(=O)N2CCC(N3CCC[C@H](CO)C3)CC2)cs1.
What is the InChIKey of (2-amino-1,3-thiazol-4-yl)-[4-[(3S)-3-(hydroxymethyl)piperidin-1-yl]piperidin-1-yl]methanone?
The InChIKey is SGNANSLVFZBEML-NSHDSACASA-N. The full InChI is InChI=1S/C15H24N4O2S/c16-15-17-13(10-22-15)14(21)18-6-3-12(4-7-18)19-5-1-2-11(8-19)9-20/h10-12,20H,1-9H2,(H2,16,17)/t11-/m0/s1.
What are the key properties of (2-amino-1,3-thiazol-4-yl)-[4-[(3S)-3-(hydroxymethyl)piperidin-1-yl]piperidin-1-yl]methanone?
(2-amino-1,3-thiazol-4-yl)-[4-[(3S)-3-(hydroxymethyl)piperidin-1-yl]piperidin-1-yl]methanone has a molecular weight of 324.45 g/mol, XLogP of 1.03, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-1,3-thiazol-4-yl)-[4-[(3S)-3-(hydroxymethyl)piperidin-1-yl]piperidin-1-yl]methanone is sourced from PubChem (CID 125171855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).