4-methyl-1-[5-[(propan-2-ylamino)methyl]imidazo[2,1-b][1,3]thiazol-6-yl]piperidin-3-ol

C15H24N4OS — CID 102960831

IUPAC4-methyl-1-[5-[(propan-2-ylamino)methyl]imidazo[2,1-b][1,3]thiazol-6-yl]piperidin-3-ol
SMILESCC(C)NCc1c(N2CCC(C)C(O)C2)nc2sccn12
InChIInChI=1S/C15H24N4OS/c1-10(2)16-8-12-14(17-15-19(12)6-7-21-15)18-5-4-11(3)13(20)9-18/h6-7,10-11,13,16,20H,4-5,8-9H2,1-3H3
InChIKeyORJVUPBWVCXXSH-UHFFFAOYSA-N
MW308.45 g/mol
LogP2.10
Rot. Bonds4

About 4-methyl-1-[5-[(propan-2-ylamino)methyl]imidazo[2,1-b][1,3]thiazol-6-yl]piperidin-3-ol

4-methyl-1-[5-[(propan-2-ylamino)methyl]imidazo[2,1-b][1,3]thiazol-6-yl]piperidin-3-ol (PubChem CID 102960831) has the molecular formula C15H24N4OS and a molecular weight of 308.45 g/mol. Its IUPAC name is 4-methyl-1-[5-[(propan-2-ylamino)methyl]imidazo[2,1-b][1,3]thiazol-6-yl]piperidin-3-ol.

Molecular Properties

Compound Name4-methyl-1-[5-[(propan-2-ylamino)methyl]imidazo[2,1-b][1,3]thiazol-6-yl]piperidin-3-ol
PubChem CID102960831
Molecular FormulaC15H24N4OS
Molecular Weight308.45 g/mol
Exact Mass308.17
IUPAC Name4-methyl-1-[5-[(propan-2-ylamino)methyl]imidazo[2,1-b][1,3]thiazol-6-yl]piperidin-3-ol
SMILESCC(C)NCc1c(N2CCC(C)C(O)C2)nc2sccn12
InChIInChI=1S/C15H24N4OS/c1-10(2)16-8-12-14(17-15-19(12)6-7-21-15)18-5-4-11(3)13(20)9-18/h6-7,10-11,13,16,20H,4-5,8-9H2,1-3H3
InChIKeyORJVUPBWVCXXSH-UHFFFAOYSA-N
XLogP2.10
TPSA52.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.45
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 4-methyl-1-[5-[(propan-2-ylamino)methyl]imidazo[2,1-b][1,3]thiazol-6-yl]piperidin-3-ol with MolForge

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Related Compounds

N-[[6-(2,3-dimethylpiperidin-1-yl)imidazo[2,1-b][1,3]thiazol-5-yl]methyl]propan-2-amine
CID 62124839
N-[[6-(2-methylpyrrolidin-1-yl)imidazo[2,1-b][1,3]thiazol-5-yl]methyl]propan-2-amine
CID 54882321
4-methyl-1-[5-[(propan-2-ylamino)methyl]imidazo[2,1-b][1,3]thiazol-6-yl]piperidin-4-ol
CID 81096884
1-[5-[(cyclopropylamino)methyl]imidazo[2,1-b][1,3]thiazol-6-yl]-3-methylpiperidin-4-ol
CID 114679326
N-[[6-(2-methylpiperidin-1-yl)imidazo[2,1-b][1,3]thiazol-5-yl]methyl]propan-2-amine
CID 43476226
1-[5-(aminomethyl)imidazo[2,1-b][1,3]thiazol-6-yl]-3-methylpiperidin-4-ol
CID 114679350
1-[6-(3-methoxy-4-methylpiperidin-1-yl)imidazo[2,1-b][1,3]thiazol-5-yl]-N-methylmethanamine
CID 102961269
N-[[6-(3,4-dimethylpyrrolidin-1-yl)imidazo[2,1-b][1,3]thiazol-5-yl]methyl]ethanamine
CID 79188181
N-[(6-pyrazol-1-ylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]propan-2-amine
CID 43476542
2-[1-[5-(ethylaminomethyl)imidazo[2,1-b][1,3]thiazol-6-yl]pyrrolidin-3-yl]ethanol
CID 114798563
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

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-[5-[(propan-2-ylamino)methyl]imidazo[2,1-b][1,3]thiazol-6-yl]piperidin-3-ol?
The IUPAC name of 4-methyl-1-[5-[(propan-2-ylamino)methyl]imidazo[2,1-b][1,3]thiazol-6-yl]piperidin-3-ol (CID 102960831) is 4-methyl-1-[5-[(propan-2-ylamino)methyl]imidazo[2,1-b][1,3]thiazol-6-yl]piperidin-3-ol.
What is the SMILES notation for 4-methyl-1-[5-[(propan-2-ylamino)methyl]imidazo[2,1-b][1,3]thiazol-6-yl]piperidin-3-ol?
The canonical SMILES for 4-methyl-1-[5-[(propan-2-ylamino)methyl]imidazo[2,1-b][1,3]thiazol-6-yl]piperidin-3-ol is CC(C)NCc1c(N2CCC(C)C(O)C2)nc2sccn12.
What is the InChIKey of 4-methyl-1-[5-[(propan-2-ylamino)methyl]imidazo[2,1-b][1,3]thiazol-6-yl]piperidin-3-ol?
The InChIKey is ORJVUPBWVCXXSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4OS/c1-10(2)16-8-12-14(17-15-19(12)6-7-21-15)18-5-4-11(3)13(20)9-18/h6-7,10-11,13,16,20H,4-5,8-9H2,1-3H3.
What are the key properties of 4-methyl-1-[5-[(propan-2-ylamino)methyl]imidazo[2,1-b][1,3]thiazol-6-yl]piperidin-3-ol?
4-methyl-1-[5-[(propan-2-ylamino)methyl]imidazo[2,1-b][1,3]thiazol-6-yl]piperidin-3-ol has a molecular weight of 308.45 g/mol, XLogP of 2.10, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-[5-[(propan-2-ylamino)methyl]imidazo[2,1-b][1,3]thiazol-6-yl]piperidin-3-ol is sourced from PubChem (CID 102960831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).