N-[2-[3-(piperazin-1-ylmethyl)imidazo[2,1-b][1,3]thiazol-6-yl]phenyl]-3-(trifluoromethoxy)benzamide

C24H22F3N5O2S — CID 25232166

IUPACN-[2-[3-(piperazin-1-ylmethyl)imidazo[2,1-b][1,3]thiazol-6-yl]phenyl]-3-(trifluoromethoxy)benzamide
SMILESO=C(Nc1ccccc1-c1cn2c(CN3CCNCC3)csc2n1)c1cccc(OC(F)(F)F)c1
InChIInChI=1S/C24H22F3N5O2S/c25-24(26,27)34-18-5-3-4-16(12-18)22(33)29-20-7-2-1-6-19(20)21-14-32-17(15-35-23(32)30-21)13-31-10-8-28-9-11-31/h1-7,12,14-15,28H,8-11,13H2,(H,29,33)
InChIKeySKYUBQRAYWKKTF-UHFFFAOYSA-N
MW501.53 g/mol
LogP4.62
Rot. Bonds6

About N-[2-[3-(piperazin-1-ylmethyl)imidazo[2,1-b][1,3]thiazol-6-yl]phenyl]-3-(trifluoromethoxy)benzamide

N-[2-[3-(piperazin-1-ylmethyl)imidazo[2,1-b][1,3]thiazol-6-yl]phenyl]-3-(trifluoromethoxy)benzamide (PubChem CID 25232166) has the molecular formula C24H22F3N5O2S and a molecular weight of 501.53 g/mol. Its IUPAC name is N-[2-[3-(piperazin-1-ylmethyl)imidazo[2,1-b][1,3]thiazol-6-yl]phenyl]-3-(trifluoromethoxy)benzamide.

Molecular Properties

Compound NameN-[2-[3-(piperazin-1-ylmethyl)imidazo[2,1-b][1,3]thiazol-6-yl]phenyl]-3-(trifluoromethoxy)benzamide
PubChem CID25232166
Molecular FormulaC24H22F3N5O2S
Molecular Weight501.53 g/mol
Exact Mass501.14
IUPAC NameN-[2-[3-(piperazin-1-ylmethyl)imidazo[2,1-b][1,3]thiazol-6-yl]phenyl]-3-(trifluoromethoxy)benzamide
SMILESO=C(Nc1ccccc1-c1cn2c(CN3CCNCC3)csc2n1)c1cccc(OC(F)(F)F)c1
InChIInChI=1S/C24H22F3N5O2S/c25-24(26,27)34-18-5-3-4-16(12-18)22(33)29-20-7-2-1-6-19(20)21-14-32-17(15-35-23(32)30-21)13-31-10-8-28-9-11-31/h1-7,12,14-15,28H,8-11,13H2,(H,29,33)
InChIKeySKYUBQRAYWKKTF-UHFFFAOYSA-N
XLogP4.62
TPSA70.90 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500501.53
LogP ≤ 54.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[2-[3-(piperazin-1-ylmethyl)imidazo[2,1-b][1,3]thiazol-6-yl]phenyl]-3-(trifluoromethoxy)benzamide?
The IUPAC name of N-[2-[3-(piperazin-1-ylmethyl)imidazo[2,1-b][1,3]thiazol-6-yl]phenyl]-3-(trifluoromethoxy)benzamide (CID 25232166) is N-[2-[3-(piperazin-1-ylmethyl)imidazo[2,1-b][1,3]thiazol-6-yl]phenyl]-3-(trifluoromethoxy)benzamide.
What is the SMILES notation for N-[2-[3-(piperazin-1-ylmethyl)imidazo[2,1-b][1,3]thiazol-6-yl]phenyl]-3-(trifluoromethoxy)benzamide?
The canonical SMILES for N-[2-[3-(piperazin-1-ylmethyl)imidazo[2,1-b][1,3]thiazol-6-yl]phenyl]-3-(trifluoromethoxy)benzamide is O=C(Nc1ccccc1-c1cn2c(CN3CCNCC3)csc2n1)c1cccc(OC(F)(F)F)c1.
What is the InChIKey of N-[2-[3-(piperazin-1-ylmethyl)imidazo[2,1-b][1,3]thiazol-6-yl]phenyl]-3-(trifluoromethoxy)benzamide?
The InChIKey is SKYUBQRAYWKKTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22F3N5O2S/c25-24(26,27)34-18-5-3-4-16(12-18)22(33)29-20-7-2-1-6-19(20)21-14-32-17(15-35-23(32)30-21)13-31-10-8-28-9-11-31/h1-7,12,14-15,28H,8-11,13H2,(H,29,33).
What are the key properties of N-[2-[3-(piperazin-1-ylmethyl)imidazo[2,1-b][1,3]thiazol-6-yl]phenyl]-3-(trifluoromethoxy)benzamide?
N-[2-[3-(piperazin-1-ylmethyl)imidazo[2,1-b][1,3]thiazol-6-yl]phenyl]-3-(trifluoromethoxy)benzamide has a molecular weight of 501.53 g/mol, XLogP of 4.62, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[3-(piperazin-1-ylmethyl)imidazo[2,1-b][1,3]thiazol-6-yl]phenyl]-3-(trifluoromethoxy)benzamide is sourced from PubChem (CID 25232166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).