[(3S)-1-[(6-cyclopropylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-3-methylpiperidin-3-yl]methanol

C16H23N3OS — CID 97335244

IUPAC[(3S)-1-[(6-cyclopropylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-3-methylpiperidin-3-yl]methanol
SMILESC[C@]1(CO)CCCN(Cc2c(C3CC3)nc3sccn23)C1
InChIInChI=1S/C16H23N3OS/c1-16(11-20)5-2-6-18(10-16)9-13-14(12-3-4-12)17-15-19(13)7-8-21-15/h7-8,12,20H,2-6,9-11H2,1H3/t16-/m0/s1
InChIKeyCAPIWIPPFKHMAY-INIZCTEOSA-N
MW305.45 g/mol
LogP2.87
Rot. Bonds4

About [(3S)-1-[(6-cyclopropylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-3-methylpiperidin-3-yl]methanol

[(3S)-1-[(6-cyclopropylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-3-methylpiperidin-3-yl]methanol (PubChem CID 97335244) has the molecular formula C16H23N3OS and a molecular weight of 305.45 g/mol. Its IUPAC name is [(3S)-1-[(6-cyclopropylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-3-methylpiperidin-3-yl]methanol.

Molecular Properties

Compound Name[(3S)-1-[(6-cyclopropylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-3-methylpiperidin-3-yl]methanol
PubChem CID97335244
Molecular FormulaC16H23N3OS
Molecular Weight305.45 g/mol
Exact Mass305.16
IUPAC Name[(3S)-1-[(6-cyclopropylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-3-methylpiperidin-3-yl]methanol
SMILESC[C@]1(CO)CCCN(Cc2c(C3CC3)nc3sccn23)C1
InChIInChI=1S/C16H23N3OS/c1-16(11-20)5-2-6-18(10-16)9-13-14(12-3-4-12)17-15-19(13)7-8-21-15/h7-8,12,20H,2-6,9-11H2,1H3/t16-/m0/s1
InChIKeyCAPIWIPPFKHMAY-INIZCTEOSA-N
XLogP2.87
TPSA40.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.45
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [(3S)-1-[(6-cyclopropylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-3-methylpiperidin-3-yl]methanol?
The IUPAC name of [(3S)-1-[(6-cyclopropylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-3-methylpiperidin-3-yl]methanol (CID 97335244) is [(3S)-1-[(6-cyclopropylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-3-methylpiperidin-3-yl]methanol.
What is the SMILES notation for [(3S)-1-[(6-cyclopropylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-3-methylpiperidin-3-yl]methanol?
The canonical SMILES for [(3S)-1-[(6-cyclopropylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-3-methylpiperidin-3-yl]methanol is C[C@]1(CO)CCCN(Cc2c(C3CC3)nc3sccn23)C1.
What is the InChIKey of [(3S)-1-[(6-cyclopropylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-3-methylpiperidin-3-yl]methanol?
The InChIKey is CAPIWIPPFKHMAY-INIZCTEOSA-N. The full InChI is InChI=1S/C16H23N3OS/c1-16(11-20)5-2-6-18(10-16)9-13-14(12-3-4-12)17-15-19(13)7-8-21-15/h7-8,12,20H,2-6,9-11H2,1H3/t16-/m0/s1.
What are the key properties of [(3S)-1-[(6-cyclopropylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-3-methylpiperidin-3-yl]methanol?
[(3S)-1-[(6-cyclopropylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-3-methylpiperidin-3-yl]methanol has a molecular weight of 305.45 g/mol, XLogP of 2.87, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-1-[(6-cyclopropylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-3-methylpiperidin-3-yl]methanol is sourced from PubChem (CID 97335244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).