4-[[(3S)-3-(1-propan-2-ylimidazol-2-yl)piperidin-1-yl]methyl]-1,3-thiazole

C15H22N4S — CID 97188791

IUPAC4-[[(3S)-3-(1-propan-2-ylimidazol-2-yl)piperidin-1-yl]methyl]-1,3-thiazole
SMILESCC(C)n1ccnc1[C@H]1CCCN(Cc2cscn2)C1
InChIInChI=1S/C15H22N4S/c1-12(2)19-7-5-16-15(19)13-4-3-6-18(8-13)9-14-10-20-11-17-14/h5,7,10-13H,3-4,6,8-9H2,1-2H3/t13-/m0/s1
InChIKeyFMRDYLFWDGOUGI-ZDUSSCGKSA-N
MW290.44 g/mol
LogP3.30
Rot. Bonds4

About 4-[[(3S)-3-(1-propan-2-ylimidazol-2-yl)piperidin-1-yl]methyl]-1,3-thiazole

4-[[(3S)-3-(1-propan-2-ylimidazol-2-yl)piperidin-1-yl]methyl]-1,3-thiazole (PubChem CID 97188791) has the molecular formula C15H22N4S and a molecular weight of 290.44 g/mol. Its IUPAC name is 4-[[(3S)-3-(1-propan-2-ylimidazol-2-yl)piperidin-1-yl]methyl]-1,3-thiazole.

Molecular Properties

Compound Name4-[[(3S)-3-(1-propan-2-ylimidazol-2-yl)piperidin-1-yl]methyl]-1,3-thiazole
PubChem CID97188791
Molecular FormulaC15H22N4S
Molecular Weight290.44 g/mol
Exact Mass290.16
IUPAC Name4-[[(3S)-3-(1-propan-2-ylimidazol-2-yl)piperidin-1-yl]methyl]-1,3-thiazole
SMILESCC(C)n1ccnc1[C@H]1CCCN(Cc2cscn2)C1
InChIInChI=1S/C15H22N4S/c1-12(2)19-7-5-16-15(19)13-4-3-6-18(8-13)9-14-10-20-11-17-14/h5,7,10-13H,3-4,6,8-9H2,1-2H3/t13-/m0/s1
InChIKeyFMRDYLFWDGOUGI-ZDUSSCGKSA-N
XLogP3.30
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.44
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(3S)-1-pent-2-ynyl-3-(1-propan-2-ylimidazol-2-yl)piperidine
CID 97195423
4-[[(3S)-3-(1-propan-2-ylimidazol-2-yl)piperidin-1-yl]methyl]benzamide
CID 97198380
N,N-dimethyl-2-[(3S)-3-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]acetamide
CID 97188445
N,N-dimethyl-2-[(3R)-3-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]acetamide
CID 97188446
propan-2-yl (3S)-3-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidine-1-carboxylate
CID 97210106
4-[[2-[(3S)-1-pyridin-4-ylpiperidin-3-yl]imidazol-1-yl]methyl]-1,3-thiazole
CID 97202045
1-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]-3-(1-propan-2-ylimidazol-2-yl)piperidine
CID 72873646
4-[[2-[1-(2-phenoxyethyl)piperidin-3-yl]imidazol-1-yl]methyl]-1,3-thiazole
CID 72890911
(3R)-1-[2-(4-chloropyrazol-1-yl)ethyl]-3-(1-propan-2-ylimidazol-2-yl)piperidine
CID 97201985
4-[[(3S)-3-(2-methylpropyl)pyrrolidin-1-yl]methyl]-1,3-thiazole
CID 97319043
N-[[1-(1,3-thiazol-4-ylmethyl)pyrrolidin-3-yl]methyl]propan-2-amine
CID 63830989
2-methyl-2-pyrrolidin-1-yl-1-[(3R)-3-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]propan-1-one
CID 97269710

Frequently Asked Questions

What is the IUPAC name of 4-[[(3S)-3-(1-propan-2-ylimidazol-2-yl)piperidin-1-yl]methyl]-1,3-thiazole?
The IUPAC name of 4-[[(3S)-3-(1-propan-2-ylimidazol-2-yl)piperidin-1-yl]methyl]-1,3-thiazole (CID 97188791) is 4-[[(3S)-3-(1-propan-2-ylimidazol-2-yl)piperidin-1-yl]methyl]-1,3-thiazole.
What is the SMILES notation for 4-[[(3S)-3-(1-propan-2-ylimidazol-2-yl)piperidin-1-yl]methyl]-1,3-thiazole?
The canonical SMILES for 4-[[(3S)-3-(1-propan-2-ylimidazol-2-yl)piperidin-1-yl]methyl]-1,3-thiazole is CC(C)n1ccnc1[C@H]1CCCN(Cc2cscn2)C1.
What is the InChIKey of 4-[[(3S)-3-(1-propan-2-ylimidazol-2-yl)piperidin-1-yl]methyl]-1,3-thiazole?
The InChIKey is FMRDYLFWDGOUGI-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H22N4S/c1-12(2)19-7-5-16-15(19)13-4-3-6-18(8-13)9-14-10-20-11-17-14/h5,7,10-13H,3-4,6,8-9H2,1-2H3/t13-/m0/s1.
What are the key properties of 4-[[(3S)-3-(1-propan-2-ylimidazol-2-yl)piperidin-1-yl]methyl]-1,3-thiazole?
4-[[(3S)-3-(1-propan-2-ylimidazol-2-yl)piperidin-1-yl]methyl]-1,3-thiazole has a molecular weight of 290.44 g/mol, XLogP of 3.30, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(3S)-3-(1-propan-2-ylimidazol-2-yl)piperidin-1-yl]methyl]-1,3-thiazole is sourced from PubChem (CID 97188791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).