1-[5-[(cyclopropylamino)methyl]imidazo[2,1-b][1,3]thiazol-6-yl]-3-methylpiperidin-4-ol

C15H22N4OS — CID 114679326

IUPAC1-[5-[(cyclopropylamino)methyl]imidazo[2,1-b][1,3]thiazol-6-yl]-3-methylpiperidin-4-ol
SMILESCC1CN(c2nc3sccn3c2CNC2CC2)CCC1O
InChIInChI=1S/C15H22N4OS/c1-10-9-18(5-4-13(10)20)14-12(8-16-11-2-3-11)19-6-7-21-15(19)17-14/h6-7,10-11,13,16,20H,2-5,8-9H2,1H3
InChIKeyCBGFSTZXFWYXFF-UHFFFAOYSA-N
MW306.44 g/mol
LogP1.85
Rot. Bonds4

About 1-[5-[(cyclopropylamino)methyl]imidazo[2,1-b][1,3]thiazol-6-yl]-3-methylpiperidin-4-ol

1-[5-[(cyclopropylamino)methyl]imidazo[2,1-b][1,3]thiazol-6-yl]-3-methylpiperidin-4-ol (PubChem CID 114679326) has the molecular formula C15H22N4OS and a molecular weight of 306.44 g/mol. Its IUPAC name is 1-[5-[(cyclopropylamino)methyl]imidazo[2,1-b][1,3]thiazol-6-yl]-3-methylpiperidin-4-ol.

Molecular Properties

Compound Name1-[5-[(cyclopropylamino)methyl]imidazo[2,1-b][1,3]thiazol-6-yl]-3-methylpiperidin-4-ol
PubChem CID114679326
Molecular FormulaC15H22N4OS
Molecular Weight306.44 g/mol
Exact Mass306.15
IUPAC Name1-[5-[(cyclopropylamino)methyl]imidazo[2,1-b][1,3]thiazol-6-yl]-3-methylpiperidin-4-ol
SMILESCC1CN(c2nc3sccn3c2CNC2CC2)CCC1O
InChIInChI=1S/C15H22N4OS/c1-10-9-18(5-4-13(10)20)14-12(8-16-11-2-3-11)19-6-7-21-15(19)17-14/h6-7,10-11,13,16,20H,2-5,8-9H2,1H3
InChIKeyCBGFSTZXFWYXFF-UHFFFAOYSA-N
XLogP1.85
TPSA52.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.44
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-[5-(aminomethyl)imidazo[2,1-b][1,3]thiazol-6-yl]-3-methylpiperidin-4-ol
CID 114679350
2-[1-[5-[(cyclopropylamino)methyl]imidazo[2,1-b][1,3]thiazol-6-yl]pyrrolidin-3-yl]ethanol
CID 114798675
N-[[6-(3-ethylpiperidin-1-yl)imidazo[2,1-b][1,3]thiazol-5-yl]methyl]cyclopropanamine
CID 43584762
4-methyl-1-[5-[(propan-2-ylamino)methyl]imidazo[2,1-b][1,3]thiazol-6-yl]piperidin-3-ol
CID 102960831
N-[[6-(3,4-dimethylpyrrolidin-1-yl)imidazo[2,1-b][1,3]thiazol-5-yl]methyl]ethanamine
CID 79188181
1-[6-(3-methoxy-4-methylpiperidin-1-yl)imidazo[2,1-b][1,3]thiazol-5-yl]-N-methylmethanamine
CID 102961269
2-[1-[5-(ethylaminomethyl)imidazo[2,1-b][1,3]thiazol-6-yl]pyrrolidin-3-yl]ethanol
CID 114798563
2-[6-(3,4-dimethylpyrrolidin-1-yl)imidazo[2,1-b][1,3]thiazol-5-yl]ethanamine
CID 79183495
1-[5-(methylaminomethyl)imidazo[2,1-b][1,3]thiazol-6-yl]piperidine-3-carboxamide
CID 43476199
N-[[6-(3,4,5-trimethylpiperazin-1-yl)imidazo[2,1-b][1,3]thiazol-5-yl]methyl]ethanamine
CID 114538713
1-[6-(2,6-dimethylmorpholin-4-yl)imidazo[2,1-b][1,3]thiazol-5-yl]-N-methylmethanamine
CID 43476247
1-[6-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl)imidazo[2,1-b][1,3]thiazol-5-yl]-N-methylmethanamine
CID 63150946

Frequently Asked Questions

What is the IUPAC name of 1-[5-[(cyclopropylamino)methyl]imidazo[2,1-b][1,3]thiazol-6-yl]-3-methylpiperidin-4-ol?
The IUPAC name of 1-[5-[(cyclopropylamino)methyl]imidazo[2,1-b][1,3]thiazol-6-yl]-3-methylpiperidin-4-ol (CID 114679326) is 1-[5-[(cyclopropylamino)methyl]imidazo[2,1-b][1,3]thiazol-6-yl]-3-methylpiperidin-4-ol.
What is the SMILES notation for 1-[5-[(cyclopropylamino)methyl]imidazo[2,1-b][1,3]thiazol-6-yl]-3-methylpiperidin-4-ol?
The canonical SMILES for 1-[5-[(cyclopropylamino)methyl]imidazo[2,1-b][1,3]thiazol-6-yl]-3-methylpiperidin-4-ol is CC1CN(c2nc3sccn3c2CNC2CC2)CCC1O.
What is the InChIKey of 1-[5-[(cyclopropylamino)methyl]imidazo[2,1-b][1,3]thiazol-6-yl]-3-methylpiperidin-4-ol?
The InChIKey is CBGFSTZXFWYXFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4OS/c1-10-9-18(5-4-13(10)20)14-12(8-16-11-2-3-11)19-6-7-21-15(19)17-14/h6-7,10-11,13,16,20H,2-5,8-9H2,1H3.
What are the key properties of 1-[5-[(cyclopropylamino)methyl]imidazo[2,1-b][1,3]thiazol-6-yl]-3-methylpiperidin-4-ol?
1-[5-[(cyclopropylamino)methyl]imidazo[2,1-b][1,3]thiazol-6-yl]-3-methylpiperidin-4-ol has a molecular weight of 306.44 g/mol, XLogP of 1.85, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[(cyclopropylamino)methyl]imidazo[2,1-b][1,3]thiazol-6-yl]-3-methylpiperidin-4-ol is sourced from PubChem (CID 114679326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).