1-[4-[(2-butyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]propan-2-ol

C15H27N3OS — CID 56826401

IUPAC1-[4-[(2-butyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]propan-2-ol
SMILESCCCCc1nc(CN2CCN(CC(C)O)CC2)cs1
InChIInChI=1S/C15H27N3OS/c1-3-4-5-15-16-14(12-20-15)11-18-8-6-17(7-9-18)10-13(2)19/h12-13,19H,3-11H2,1-2H3
InChIKeyAPCRBFUAWXJSSH-UHFFFAOYSA-N
MW297.47 g/mol
LogP1.98
Rot. Bonds7

About 1-[4-[(2-butyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]propan-2-ol

1-[4-[(2-butyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]propan-2-ol (PubChem CID 56826401) has the molecular formula C15H27N3OS and a molecular weight of 297.47 g/mol. Its IUPAC name is 1-[4-[(2-butyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]propan-2-ol.

Molecular Properties

Compound Name1-[4-[(2-butyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]propan-2-ol
PubChem CID56826401
Molecular FormulaC15H27N3OS
Molecular Weight297.47 g/mol
Exact Mass297.19
IUPAC Name1-[4-[(2-butyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]propan-2-ol
SMILESCCCCc1nc(CN2CCN(CC(C)O)CC2)cs1
InChIInChI=1S/C15H27N3OS/c1-3-4-5-15-16-14(12-20-15)11-18-8-6-17(7-9-18)10-13(2)19/h12-13,19H,3-11H2,1-2H3
InChIKeyAPCRBFUAWXJSSH-UHFFFAOYSA-N
XLogP1.98
TPSA39.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.47
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[1-[(2-butyl-1,3-thiazol-4-yl)methyl]pyrrolidin-3-yl]ethanol
CID 110020463
(2S)-2-[4-[(2-butyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]-N-cyclopropylpropanamide
CID 51941289
(2S)-1-[4-[[2-(2-fluorophenyl)-1,3-thiazol-4-yl]methyl]piperazin-1-yl]propan-2-ol
CID 95352568
1-[1-[(2-propyl-1,3-thiazol-4-yl)methyl]pyrrolidin-3-yl]ethanol
CID 112628440
1-[1-[(2-propyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]ethanamine;dihydrochloride
CID 119920780
[4-[(2-butyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]-[(2R)-oxolan-2-yl]methanone
CID 94163832
1-[(2-propyl-1,3-thiazol-4-yl)methyl]piperidin-4-amine
CID 43556699
4-[(2-propyl-1,3-thiazol-4-yl)methyl]-1,4-thiazinane 1,1-dioxide
CID 71879328
N-cyclopropyl-2-[4-[(2-propyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]propanamide
CID 134052875
2-[5-[1-[(2-butyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]pyrazol-1-yl]ethanol
CID 51104609
1-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]propan-2-amine
CID 82044404
[4-[(4-propan-2-ylpiperazin-1-yl)methyl]-1,3-thiazol-2-yl]methanamine
CID 62433618

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(2-butyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]propan-2-ol?
The IUPAC name of 1-[4-[(2-butyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]propan-2-ol (CID 56826401) is 1-[4-[(2-butyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]propan-2-ol.
What is the SMILES notation for 1-[4-[(2-butyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]propan-2-ol?
The canonical SMILES for 1-[4-[(2-butyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]propan-2-ol is CCCCc1nc(CN2CCN(CC(C)O)CC2)cs1.
What is the InChIKey of 1-[4-[(2-butyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]propan-2-ol?
The InChIKey is APCRBFUAWXJSSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3OS/c1-3-4-5-15-16-14(12-20-15)11-18-8-6-17(7-9-18)10-13(2)19/h12-13,19H,3-11H2,1-2H3.
What are the key properties of 1-[4-[(2-butyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]propan-2-ol?
1-[4-[(2-butyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]propan-2-ol has a molecular weight of 297.47 g/mol, XLogP of 1.98, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(2-butyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]propan-2-ol is sourced from PubChem (CID 56826401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).