N-[5-(ethylcarbamoyl)-2-methylphenyl]-2-(propylamino)-1,3-thiazole-5-carboxamide

C17H22N4O2S — CID 11484790

IUPACN-[5-(ethylcarbamoyl)-2-methylphenyl]-2-(propylamino)-1,3-thiazole-5-carboxamide
SMILESCCCNc1ncc(C(=O)Nc2cc(C(=O)NCC)ccc2C)s1
InChIInChI=1S/C17H22N4O2S/c1-4-8-19-17-20-10-14(24-17)16(23)21-13-9-12(7-6-11(13)3)15(22)18-5-2/h6-7,9-10H,4-5,8H2,1-3H3,(H,18,22)(H,19,20)(H,21,23)
InChIKeyBTKKSVLVRWFINE-UHFFFAOYSA-N
MW346.46 g/mol
LogP3.28
Rot. Bonds7

About N-[5-(ethylcarbamoyl)-2-methylphenyl]-2-(propylamino)-1,3-thiazole-5-carboxamide

N-[5-(ethylcarbamoyl)-2-methylphenyl]-2-(propylamino)-1,3-thiazole-5-carboxamide (PubChem CID 11484790) has the molecular formula C17H22N4O2S and a molecular weight of 346.46 g/mol. Its IUPAC name is N-[5-(ethylcarbamoyl)-2-methylphenyl]-2-(propylamino)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-[5-(ethylcarbamoyl)-2-methylphenyl]-2-(propylamino)-1,3-thiazole-5-carboxamide
PubChem CID11484790
Molecular FormulaC17H22N4O2S
Molecular Weight346.46 g/mol
Exact Mass346.15
IUPAC NameN-[5-(ethylcarbamoyl)-2-methylphenyl]-2-(propylamino)-1,3-thiazole-5-carboxamide
SMILESCCCNc1ncc(C(=O)Nc2cc(C(=O)NCC)ccc2C)s1
InChIInChI=1S/C17H22N4O2S/c1-4-8-19-17-20-10-14(24-17)16(23)21-13-9-12(7-6-11(13)3)15(22)18-5-2/h6-7,9-10H,4-5,8H2,1-3H3,(H,18,22)(H,19,20)(H,21,23)
InChIKeyBTKKSVLVRWFINE-UHFFFAOYSA-N
XLogP3.28
TPSA83.12 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.46
LogP ≤ 53.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[5-(ethylcarbamoyl)-2-methylphenyl]-2-(propylamino)-1,3-thiazole-5-carboxamide?
The IUPAC name of N-[5-(ethylcarbamoyl)-2-methylphenyl]-2-(propylamino)-1,3-thiazole-5-carboxamide (CID 11484790) is N-[5-(ethylcarbamoyl)-2-methylphenyl]-2-(propylamino)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-[5-(ethylcarbamoyl)-2-methylphenyl]-2-(propylamino)-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-[5-(ethylcarbamoyl)-2-methylphenyl]-2-(propylamino)-1,3-thiazole-5-carboxamide is CCCNc1ncc(C(=O)Nc2cc(C(=O)NCC)ccc2C)s1.
What is the InChIKey of N-[5-(ethylcarbamoyl)-2-methylphenyl]-2-(propylamino)-1,3-thiazole-5-carboxamide?
The InChIKey is BTKKSVLVRWFINE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O2S/c1-4-8-19-17-20-10-14(24-17)16(23)21-13-9-12(7-6-11(13)3)15(22)18-5-2/h6-7,9-10H,4-5,8H2,1-3H3,(H,18,22)(H,19,20)(H,21,23).
What are the key properties of N-[5-(ethylcarbamoyl)-2-methylphenyl]-2-(propylamino)-1,3-thiazole-5-carboxamide?
N-[5-(ethylcarbamoyl)-2-methylphenyl]-2-(propylamino)-1,3-thiazole-5-carboxamide has a molecular weight of 346.46 g/mol, XLogP of 3.28, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(ethylcarbamoyl)-2-methylphenyl]-2-(propylamino)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 11484790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).