N-[4-[[2-[3,5-bis(difluoromethyl)pyrazol-1-yl]acetyl]amino]pentan-2-yl]imidazo[2,1-b][1,3]thiazole-2-carboxamide

C18H20F4N6O2S — CID 167992789

IUPACN-[4-[[2-[3,5-bis(difluoromethyl)pyrazol-1-yl]acetyl]amino]pentan-2-yl]imidazo[2,1-b][1,3]thiazole-2-carboxamide
SMILESCC(CC(C)NC(=O)c1cn2ccnc2s1)NC(=O)Cn1nc(C(F)F)cc1C(F)F
InChIInChI=1S/C18H20F4N6O2S/c1-9(5-10(2)25-17(30)13-7-27-4-3-23-18(27)31-13)24-14(29)8-28-12(16(21)22)6-11(26-28)15(19)20/h3-4,6-7,9-10,15-16H,5,8H2,1-2H3,(H,24,29)(H,25,30)
InChIKeyGJWSJWJSTRVVEM-UHFFFAOYSA-N
MW460.46 g/mol
LogP3.18
Rot. Bonds9

About N-[4-[[2-[3,5-bis(difluoromethyl)pyrazol-1-yl]acetyl]amino]pentan-2-yl]imidazo[2,1-b][1,3]thiazole-2-carboxamide

N-[4-[[2-[3,5-bis(difluoromethyl)pyrazol-1-yl]acetyl]amino]pentan-2-yl]imidazo[2,1-b][1,3]thiazole-2-carboxamide (PubChem CID 167992789) has the molecular formula C18H20F4N6O2S and a molecular weight of 460.46 g/mol. Its IUPAC name is N-[4-[[2-[3,5-bis(difluoromethyl)pyrazol-1-yl]acetyl]amino]pentan-2-yl]imidazo[2,1-b][1,3]thiazole-2-carboxamide.

Molecular Properties

Compound NameN-[4-[[2-[3,5-bis(difluoromethyl)pyrazol-1-yl]acetyl]amino]pentan-2-yl]imidazo[2,1-b][1,3]thiazole-2-carboxamide
PubChem CID167992789
Molecular FormulaC18H20F4N6O2S
Molecular Weight460.46 g/mol
Exact Mass460.13
IUPAC NameN-[4-[[2-[3,5-bis(difluoromethyl)pyrazol-1-yl]acetyl]amino]pentan-2-yl]imidazo[2,1-b][1,3]thiazole-2-carboxamide
SMILESCC(CC(C)NC(=O)c1cn2ccnc2s1)NC(=O)Cn1nc(C(F)F)cc1C(F)F
InChIInChI=1S/C18H20F4N6O2S/c1-9(5-10(2)25-17(30)13-7-27-4-3-23-18(27)31-13)24-14(29)8-28-12(16(21)22)6-11(26-28)15(19)20/h3-4,6-7,9-10,15-16H,5,8H2,1-2H3,(H,24,29)(H,25,30)
InChIKeyGJWSJWJSTRVVEM-UHFFFAOYSA-N
XLogP3.18
TPSA93.32 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.46
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[4-[[2-[3,5-bis(difluoromethyl)pyrazol-1-yl]acetyl]amino]pentan-2-yl]imidazo[2,1-b][1,3]thiazole-2-carboxamide?
The IUPAC name of N-[4-[[2-[3,5-bis(difluoromethyl)pyrazol-1-yl]acetyl]amino]pentan-2-yl]imidazo[2,1-b][1,3]thiazole-2-carboxamide (CID 167992789) is N-[4-[[2-[3,5-bis(difluoromethyl)pyrazol-1-yl]acetyl]amino]pentan-2-yl]imidazo[2,1-b][1,3]thiazole-2-carboxamide.
What is the SMILES notation for N-[4-[[2-[3,5-bis(difluoromethyl)pyrazol-1-yl]acetyl]amino]pentan-2-yl]imidazo[2,1-b][1,3]thiazole-2-carboxamide?
The canonical SMILES for N-[4-[[2-[3,5-bis(difluoromethyl)pyrazol-1-yl]acetyl]amino]pentan-2-yl]imidazo[2,1-b][1,3]thiazole-2-carboxamide is CC(CC(C)NC(=O)c1cn2ccnc2s1)NC(=O)Cn1nc(C(F)F)cc1C(F)F.
What is the InChIKey of N-[4-[[2-[3,5-bis(difluoromethyl)pyrazol-1-yl]acetyl]amino]pentan-2-yl]imidazo[2,1-b][1,3]thiazole-2-carboxamide?
The InChIKey is GJWSJWJSTRVVEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20F4N6O2S/c1-9(5-10(2)25-17(30)13-7-27-4-3-23-18(27)31-13)24-14(29)8-28-12(16(21)22)6-11(26-28)15(19)20/h3-4,6-7,9-10,15-16H,5,8H2,1-2H3,(H,24,29)(H,25,30).
What are the key properties of N-[4-[[2-[3,5-bis(difluoromethyl)pyrazol-1-yl]acetyl]amino]pentan-2-yl]imidazo[2,1-b][1,3]thiazole-2-carboxamide?
N-[4-[[2-[3,5-bis(difluoromethyl)pyrazol-1-yl]acetyl]amino]pentan-2-yl]imidazo[2,1-b][1,3]thiazole-2-carboxamide has a molecular weight of 460.46 g/mol, XLogP of 3.18, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[2-[3,5-bis(difluoromethyl)pyrazol-1-yl]acetyl]amino]pentan-2-yl]imidazo[2,1-b][1,3]thiazole-2-carboxamide is sourced from PubChem (CID 167992789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).