N,N,4-trimethyl-2-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanoylamino]-1,3-thiazole-5-carboxamide

C18H19N5O3S — CID 155918840

IUPACN,N,4-trimethyl-2-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanoylamino]-1,3-thiazole-5-carboxamide
SMILESCc1nc(NC(=O)CCc2nc(-c3ccccc3)no2)sc1C(=O)N(C)C
InChIInChI=1S/C18H19N5O3S/c1-11-15(17(25)23(2)3)27-18(19-11)20-13(24)9-10-14-21-16(22-26-14)12-7-5-4-6-8-12/h4-8H,9-10H2,1-3H3,(H,19,20,24)
InChIKeyHJBXZPXFPYFAKX-UHFFFAOYSA-N
MW385.45 g/mol
LogP2.77
Rot. Bonds6

About N,N,4-trimethyl-2-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanoylamino]-1,3-thiazole-5-carboxamide

N,N,4-trimethyl-2-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanoylamino]-1,3-thiazole-5-carboxamide (PubChem CID 155918840) has the molecular formula C18H19N5O3S and a molecular weight of 385.45 g/mol. Its IUPAC name is N,N,4-trimethyl-2-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanoylamino]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN,N,4-trimethyl-2-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanoylamino]-1,3-thiazole-5-carboxamide
PubChem CID155918840
Molecular FormulaC18H19N5O3S
Molecular Weight385.45 g/mol
Exact Mass385.12
IUPAC NameN,N,4-trimethyl-2-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanoylamino]-1,3-thiazole-5-carboxamide
SMILESCc1nc(NC(=O)CCc2nc(-c3ccccc3)no2)sc1C(=O)N(C)C
InChIInChI=1S/C18H19N5O3S/c1-11-15(17(25)23(2)3)27-18(19-11)20-13(24)9-10-14-21-16(22-26-14)12-7-5-4-6-8-12/h4-8H,9-10H2,1-3H3,(H,19,20,24)
InChIKeyHJBXZPXFPYFAKX-UHFFFAOYSA-N
XLogP2.77
TPSA101.22 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.45
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(4,5-dimethyl-1,3-thiazol-2-yl)-3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanamide
CID 18198249
N-(5-methyl-1,3,4-thiadiazol-2-yl)-3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanamide
CID 16563029
N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-3-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]propanamide
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N-[2-(dimethylamino)-2-oxoethyl]-3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanamide
CID 9481051
3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(5-phenyl-1,3,4-thiadiazol-2-yl)propanamide
CID 134011961
3-(3-phenyl-1,2,4-oxadiazol-5-yl)-N-propylpropanamide
CID 3159509
N-[4-(dimethylamino)phenyl]-3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanamide
CID 110330622
N-(4-methylphenyl)-3-[3-(4-phenylphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 100762262
3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-phenylpropanamide
CID 3826214
3-(3-phenyl-1,2,4-oxadiazol-5-yl)-N-(4-phenylphenyl)propanamide
CID 9192093
5-[[5-(dimethylcarbamoyl)-4-methyl-1,3-thiazol-2-yl]amino]-5-oxopentanoic acid
CID 110442604
N-[(5-ethylthiophen-2-yl)methyl]-3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanamide
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Frequently Asked Questions

What is the IUPAC name of N,N,4-trimethyl-2-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanoylamino]-1,3-thiazole-5-carboxamide?
The IUPAC name of N,N,4-trimethyl-2-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanoylamino]-1,3-thiazole-5-carboxamide (CID 155918840) is N,N,4-trimethyl-2-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanoylamino]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N,N,4-trimethyl-2-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanoylamino]-1,3-thiazole-5-carboxamide?
The canonical SMILES for N,N,4-trimethyl-2-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanoylamino]-1,3-thiazole-5-carboxamide is Cc1nc(NC(=O)CCc2nc(-c3ccccc3)no2)sc1C(=O)N(C)C.
What is the InChIKey of N,N,4-trimethyl-2-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanoylamino]-1,3-thiazole-5-carboxamide?
The InChIKey is HJBXZPXFPYFAKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5O3S/c1-11-15(17(25)23(2)3)27-18(19-11)20-13(24)9-10-14-21-16(22-26-14)12-7-5-4-6-8-12/h4-8H,9-10H2,1-3H3,(H,19,20,24).
What are the key properties of N,N,4-trimethyl-2-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanoylamino]-1,3-thiazole-5-carboxamide?
N,N,4-trimethyl-2-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanoylamino]-1,3-thiazole-5-carboxamide has a molecular weight of 385.45 g/mol, XLogP of 2.77, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,4-trimethyl-2-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanoylamino]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 155918840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).