N-[2-[3-(piperazin-1-ylmethyl)imidazo[2,1-b][1,3]thiazol-6-yl]phenyl]pyrimidine-4-carboxamide

C21H21N7OS — CID 71718835

IUPACN-[2-[3-(piperazin-1-ylmethyl)imidazo[2,1-b][1,3]thiazol-6-yl]phenyl]pyrimidine-4-carboxamide
SMILESO=C(Nc1ccccc1-c1cn2c(CN3CCNCC3)csc2n1)c1ccncn1
InChIInChI=1S/C21H21N7OS/c29-20(18-5-6-23-14-24-18)25-17-4-2-1-3-16(17)19-12-28-15(13-30-21(28)26-19)11-27-9-7-22-8-10-27/h1-6,12-14,22H,7-11H2,(H,25,29)
InChIKeyJZWVHHDTNCGMIX-UHFFFAOYSA-N
MW419.51 g/mol
LogP2.51
Rot. Bonds5

About N-[2-[3-(piperazin-1-ylmethyl)imidazo[2,1-b][1,3]thiazol-6-yl]phenyl]pyrimidine-4-carboxamide

N-[2-[3-(piperazin-1-ylmethyl)imidazo[2,1-b][1,3]thiazol-6-yl]phenyl]pyrimidine-4-carboxamide (PubChem CID 71718835) has the molecular formula C21H21N7OS and a molecular weight of 419.51 g/mol. Its IUPAC name is N-[2-[3-(piperazin-1-ylmethyl)imidazo[2,1-b][1,3]thiazol-6-yl]phenyl]pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-[2-[3-(piperazin-1-ylmethyl)imidazo[2,1-b][1,3]thiazol-6-yl]phenyl]pyrimidine-4-carboxamide
PubChem CID71718835
Molecular FormulaC21H21N7OS
Molecular Weight419.51 g/mol
Exact Mass419.15
IUPAC NameN-[2-[3-(piperazin-1-ylmethyl)imidazo[2,1-b][1,3]thiazol-6-yl]phenyl]pyrimidine-4-carboxamide
SMILESO=C(Nc1ccccc1-c1cn2c(CN3CCNCC3)csc2n1)c1ccncn1
InChIInChI=1S/C21H21N7OS/c29-20(18-5-6-23-14-24-18)25-17-4-2-1-3-16(17)19-12-28-15(13-30-21(28)26-19)11-27-9-7-22-8-10-27/h1-6,12-14,22H,7-11H2,(H,25,29)
InChIKeyJZWVHHDTNCGMIX-UHFFFAOYSA-N
XLogP2.51
TPSA87.45 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.51
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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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]pyrimidine-4-carboxamide?
The IUPAC name of N-[2-[3-(piperazin-1-ylmethyl)imidazo[2,1-b][1,3]thiazol-6-yl]phenyl]pyrimidine-4-carboxamide (CID 71718835) is N-[2-[3-(piperazin-1-ylmethyl)imidazo[2,1-b][1,3]thiazol-6-yl]phenyl]pyrimidine-4-carboxamide.
What is the SMILES notation for N-[2-[3-(piperazin-1-ylmethyl)imidazo[2,1-b][1,3]thiazol-6-yl]phenyl]pyrimidine-4-carboxamide?
The canonical SMILES for N-[2-[3-(piperazin-1-ylmethyl)imidazo[2,1-b][1,3]thiazol-6-yl]phenyl]pyrimidine-4-carboxamide is O=C(Nc1ccccc1-c1cn2c(CN3CCNCC3)csc2n1)c1ccncn1.
What is the InChIKey of N-[2-[3-(piperazin-1-ylmethyl)imidazo[2,1-b][1,3]thiazol-6-yl]phenyl]pyrimidine-4-carboxamide?
The InChIKey is JZWVHHDTNCGMIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N7OS/c29-20(18-5-6-23-14-24-18)25-17-4-2-1-3-16(17)19-12-28-15(13-30-21(28)26-19)11-27-9-7-22-8-10-27/h1-6,12-14,22H,7-11H2,(H,25,29).
What are the key properties of N-[2-[3-(piperazin-1-ylmethyl)imidazo[2,1-b][1,3]thiazol-6-yl]phenyl]pyrimidine-4-carboxamide?
N-[2-[3-(piperazin-1-ylmethyl)imidazo[2,1-b][1,3]thiazol-6-yl]phenyl]pyrimidine-4-carboxamide has a molecular weight of 419.51 g/mol, XLogP of 2.51, 5 rotatable bonds, 2 hydrogen bond donors, and 8 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]pyrimidine-4-carboxamide is sourced from PubChem (CID 71718835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).