(2-amino-1,3-thiazol-4-yl)-[3-hydroxy-3-[[4-(3-hydroxypropyl)piperazin-1-yl]methyl]piperidin-1-yl]methanone

C17H29N5O3S — CID 155507907

IUPAC(2-amino-1,3-thiazol-4-yl)-[3-hydroxy-3-[[4-(3-hydroxypropyl)piperazin-1-yl]methyl]piperidin-1-yl]methanone
SMILESNc1nc(C(=O)N2CCCC(O)(CN3CCN(CCCO)CC3)C2)cs1
InChIInChI=1S/C17H29N5O3S/c18-16-19-14(11-26-16)15(24)22-5-1-3-17(25,13-22)12-21-8-6-20(7-9-21)4-2-10-23/h11,23,25H,1-10,12-13H2,(H2,18,19)
InChIKeyUXABCKRSZDTLEE-UHFFFAOYSA-N
MW383.52 g/mol
LogP-0.31
Rot. Bonds6

About (2-amino-1,3-thiazol-4-yl)-[3-hydroxy-3-[[4-(3-hydroxypropyl)piperazin-1-yl]methyl]piperidin-1-yl]methanone

(2-amino-1,3-thiazol-4-yl)-[3-hydroxy-3-[[4-(3-hydroxypropyl)piperazin-1-yl]methyl]piperidin-1-yl]methanone (PubChem CID 155507907) has the molecular formula C17H29N5O3S and a molecular weight of 383.52 g/mol. Its IUPAC name is (2-amino-1,3-thiazol-4-yl)-[3-hydroxy-3-[[4-(3-hydroxypropyl)piperazin-1-yl]methyl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name(2-amino-1,3-thiazol-4-yl)-[3-hydroxy-3-[[4-(3-hydroxypropyl)piperazin-1-yl]methyl]piperidin-1-yl]methanone
PubChem CID155507907
Molecular FormulaC17H29N5O3S
Molecular Weight383.52 g/mol
Exact Mass383.20
IUPAC Name(2-amino-1,3-thiazol-4-yl)-[3-hydroxy-3-[[4-(3-hydroxypropyl)piperazin-1-yl]methyl]piperidin-1-yl]methanone
SMILESNc1nc(C(=O)N2CCCC(O)(CN3CCN(CCCO)CC3)C2)cs1
InChIInChI=1S/C17H29N5O3S/c18-16-19-14(11-26-16)15(24)22-5-1-3-17(25,13-22)12-21-8-6-20(7-9-21)4-2-10-23/h11,23,25H,1-10,12-13H2,(H2,18,19)
InChIKeyUXABCKRSZDTLEE-UHFFFAOYSA-N
XLogP-0.31
TPSA106.16 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.52
LogP ≤ 5-0.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of (2-amino-1,3-thiazol-4-yl)-[3-hydroxy-3-[[4-(3-hydroxypropyl)piperazin-1-yl]methyl]piperidin-1-yl]methanone?
The IUPAC name of (2-amino-1,3-thiazol-4-yl)-[3-hydroxy-3-[[4-(3-hydroxypropyl)piperazin-1-yl]methyl]piperidin-1-yl]methanone (CID 155507907) is (2-amino-1,3-thiazol-4-yl)-[3-hydroxy-3-[[4-(3-hydroxypropyl)piperazin-1-yl]methyl]piperidin-1-yl]methanone.
What is the SMILES notation for (2-amino-1,3-thiazol-4-yl)-[3-hydroxy-3-[[4-(3-hydroxypropyl)piperazin-1-yl]methyl]piperidin-1-yl]methanone?
The canonical SMILES for (2-amino-1,3-thiazol-4-yl)-[3-hydroxy-3-[[4-(3-hydroxypropyl)piperazin-1-yl]methyl]piperidin-1-yl]methanone is Nc1nc(C(=O)N2CCCC(O)(CN3CCN(CCCO)CC3)C2)cs1.
What is the InChIKey of (2-amino-1,3-thiazol-4-yl)-[3-hydroxy-3-[[4-(3-hydroxypropyl)piperazin-1-yl]methyl]piperidin-1-yl]methanone?
The InChIKey is UXABCKRSZDTLEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N5O3S/c18-16-19-14(11-26-16)15(24)22-5-1-3-17(25,13-22)12-21-8-6-20(7-9-21)4-2-10-23/h11,23,25H,1-10,12-13H2,(H2,18,19).
What are the key properties of (2-amino-1,3-thiazol-4-yl)-[3-hydroxy-3-[[4-(3-hydroxypropyl)piperazin-1-yl]methyl]piperidin-1-yl]methanone?
(2-amino-1,3-thiazol-4-yl)-[3-hydroxy-3-[[4-(3-hydroxypropyl)piperazin-1-yl]methyl]piperidin-1-yl]methanone has a molecular weight of 383.52 g/mol, XLogP of -0.31, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-1,3-thiazol-4-yl)-[3-hydroxy-3-[[4-(3-hydroxypropyl)piperazin-1-yl]methyl]piperidin-1-yl]methanone is sourced from PubChem (CID 155507907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).