N-[5-[2-(5-tert-butyl-1,3-oxazol-2-yl)ethenyl]-1,3-thiazol-2-yl]-4-methylpiperazine-1-carboxamide

C18H25N5O2S — CID 57313431

IUPACN-[5-[2-(5-tert-butyl-1,3-oxazol-2-yl)ethenyl]-1,3-thiazol-2-yl]-4-methylpiperazine-1-carboxamide
SMILESCN1CCN(C(=O)Nc2ncc(C=Cc3ncc(C(C)(C)C)o3)s2)CC1
InChIInChI=1S/C18H25N5O2S/c1-18(2,3)14-12-19-15(25-14)6-5-13-11-20-16(26-13)21-17(24)23-9-7-22(4)8-10-23/h5-6,11-12H,7-10H2,1-4H3,(H,20,21,24)
InChIKeySHPRZQZQZVABLB-UHFFFAOYSA-N
MW375.50 g/mol
LogP3.38
Rot. Bonds3

About N-[5-[2-(5-tert-butyl-1,3-oxazol-2-yl)ethenyl]-1,3-thiazol-2-yl]-4-methylpiperazine-1-carboxamide

N-[5-[2-(5-tert-butyl-1,3-oxazol-2-yl)ethenyl]-1,3-thiazol-2-yl]-4-methylpiperazine-1-carboxamide (PubChem CID 57313431) has the molecular formula C18H25N5O2S and a molecular weight of 375.50 g/mol. Its IUPAC name is N-[5-[2-(5-tert-butyl-1,3-oxazol-2-yl)ethenyl]-1,3-thiazol-2-yl]-4-methylpiperazine-1-carboxamide.

Molecular Properties

Compound NameN-[5-[2-(5-tert-butyl-1,3-oxazol-2-yl)ethenyl]-1,3-thiazol-2-yl]-4-methylpiperazine-1-carboxamide
PubChem CID57313431
Molecular FormulaC18H25N5O2S
Molecular Weight375.50 g/mol
Exact Mass375.17
IUPAC NameN-[5-[2-(5-tert-butyl-1,3-oxazol-2-yl)ethenyl]-1,3-thiazol-2-yl]-4-methylpiperazine-1-carboxamide
SMILESCN1CCN(C(=O)Nc2ncc(C=Cc3ncc(C(C)(C)C)o3)s2)CC1
InChIInChI=1S/C18H25N5O2S/c1-18(2,3)14-12-19-15(25-14)6-5-13-11-20-16(26-13)21-17(24)23-9-7-22(4)8-10-23/h5-6,11-12H,7-10H2,1-4H3,(H,20,21,24)
InChIKeySHPRZQZQZVABLB-UHFFFAOYSA-N
XLogP3.38
TPSA74.50 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.50
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[5-[2-(5-tert-butyl-1,3-oxazol-2-yl)ethenyl]-1,3-thiazol-2-yl]-4-methylpiperazine-1-carboxamide?
The IUPAC name of N-[5-[2-(5-tert-butyl-1,3-oxazol-2-yl)ethenyl]-1,3-thiazol-2-yl]-4-methylpiperazine-1-carboxamide (CID 57313431) is N-[5-[2-(5-tert-butyl-1,3-oxazol-2-yl)ethenyl]-1,3-thiazol-2-yl]-4-methylpiperazine-1-carboxamide.
What is the SMILES notation for N-[5-[2-(5-tert-butyl-1,3-oxazol-2-yl)ethenyl]-1,3-thiazol-2-yl]-4-methylpiperazine-1-carboxamide?
The canonical SMILES for N-[5-[2-(5-tert-butyl-1,3-oxazol-2-yl)ethenyl]-1,3-thiazol-2-yl]-4-methylpiperazine-1-carboxamide is CN1CCN(C(=O)Nc2ncc(C=Cc3ncc(C(C)(C)C)o3)s2)CC1.
What is the InChIKey of N-[5-[2-(5-tert-butyl-1,3-oxazol-2-yl)ethenyl]-1,3-thiazol-2-yl]-4-methylpiperazine-1-carboxamide?
The InChIKey is SHPRZQZQZVABLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N5O2S/c1-18(2,3)14-12-19-15(25-14)6-5-13-11-20-16(26-13)21-17(24)23-9-7-22(4)8-10-23/h5-6,11-12H,7-10H2,1-4H3,(H,20,21,24).
What are the key properties of N-[5-[2-(5-tert-butyl-1,3-oxazol-2-yl)ethenyl]-1,3-thiazol-2-yl]-4-methylpiperazine-1-carboxamide?
N-[5-[2-(5-tert-butyl-1,3-oxazol-2-yl)ethenyl]-1,3-thiazol-2-yl]-4-methylpiperazine-1-carboxamide has a molecular weight of 375.50 g/mol, XLogP of 3.38, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[2-(5-tert-butyl-1,3-oxazol-2-yl)ethenyl]-1,3-thiazol-2-yl]-4-methylpiperazine-1-carboxamide is sourced from PubChem (CID 57313431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).