4-methyl-N-[2-(oxolan-2-ylmethylcarbamoyl)phenyl]-2-thiophen-2-yl-1,3-thiazole-5-carboxamide

C21H21N3O3S2 — CID 46541941

IUPAC4-methyl-N-[2-(oxolan-2-ylmethylcarbamoyl)phenyl]-2-thiophen-2-yl-1,3-thiazole-5-carboxamide
SMILESCc1nc(-c2cccs2)sc1C(=O)Nc1ccccc1C(=O)NCC1CCCO1
InChIInChI=1S/C21H21N3O3S2/c1-13-18(29-21(23-13)17-9-5-11-28-17)20(26)24-16-8-3-2-7-15(16)19(25)22-12-14-6-4-10-27-14/h2-3,5,7-9,11,14H,4,6,10,12H2,1H3,(H,22,25)(H,24,26)
InChIKeyBBXMIPXNMMQLMZ-UHFFFAOYSA-N
MW427.55 g/mol
LogP4.34
Rot. Bonds6

About 4-methyl-N-[2-(oxolan-2-ylmethylcarbamoyl)phenyl]-2-thiophen-2-yl-1,3-thiazole-5-carboxamide

4-methyl-N-[2-(oxolan-2-ylmethylcarbamoyl)phenyl]-2-thiophen-2-yl-1,3-thiazole-5-carboxamide (PubChem CID 46541941) has the molecular formula C21H21N3O3S2 and a molecular weight of 427.55 g/mol. Its IUPAC name is 4-methyl-N-[2-(oxolan-2-ylmethylcarbamoyl)phenyl]-2-thiophen-2-yl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name4-methyl-N-[2-(oxolan-2-ylmethylcarbamoyl)phenyl]-2-thiophen-2-yl-1,3-thiazole-5-carboxamide
PubChem CID46541941
Molecular FormulaC21H21N3O3S2
Molecular Weight427.55 g/mol
Exact Mass427.10
IUPAC Name4-methyl-N-[2-(oxolan-2-ylmethylcarbamoyl)phenyl]-2-thiophen-2-yl-1,3-thiazole-5-carboxamide
SMILESCc1nc(-c2cccs2)sc1C(=O)Nc1ccccc1C(=O)NCC1CCCO1
InChIInChI=1S/C21H21N3O3S2/c1-13-18(29-21(23-13)17-9-5-11-28-17)20(26)24-16-8-3-2-7-15(16)19(25)22-12-14-6-4-10-27-14/h2-3,5,7-9,11,14H,4,6,10,12H2,1H3,(H,22,25)(H,24,26)
InChIKeyBBXMIPXNMMQLMZ-UHFFFAOYSA-N
XLogP4.34
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.55
LogP ≤ 54.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-methyl-N-[2-(oxolan-2-ylmethylcarbamoyl)phenyl]thiophene-2-carboxamide
CID 17467730
N-[4-[[2-[[(2R)-oxolan-2-yl]methylcarbamoyl]phenyl]carbamoyl]phenyl]thiophene-2-carboxamide
CID 26725077
3-[(4-methyl-2-thiophen-2-yl-1,3-thiazole-5-carbonyl)-(oxolan-2-ylmethyl)amino]propanoic acid
CID 119209798
N-[2-[[(2R)-oxolan-2-yl]methylcarbamoyl]phenyl]naphthalene-1-carboxamide
CID 1319633
2-[[2-[[(2R)-oxolan-2-yl]methylcarbamoyl]phenyl]carbamoyl]benzoic acid
CID 7471264
2-[(3-methylbenzoyl)amino]-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 7378718
2-methyl-3-oxo-3-[2-(oxolan-2-ylmethylcarbamoyl)anilino]propanoic acid
CID 154795586
2-[(2-bromobenzoyl)amino]-N-(oxolan-2-ylmethyl)benzamide
CID 4935365
2-[(4-fluorobenzoyl)amino]-N-[[(2R)-oxolan-2-yl]methyl]benzamide
CID 7378690
N-(oxolan-2-ylmethyl)-2-[[4-(trifluoromethyl)benzoyl]amino]benzamide
CID 43013842
2-[(2-methylsulfanylbenzoyl)amino]-N-(oxolan-2-ylmethyl)benzamide
CID 2989154
3-benzamido-4-methyl-N-[2-(oxolan-2-ylmethylcarbamoyl)phenyl]benzamide
CID 17226585

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[2-(oxolan-2-ylmethylcarbamoyl)phenyl]-2-thiophen-2-yl-1,3-thiazole-5-carboxamide?
The IUPAC name of 4-methyl-N-[2-(oxolan-2-ylmethylcarbamoyl)phenyl]-2-thiophen-2-yl-1,3-thiazole-5-carboxamide (CID 46541941) is 4-methyl-N-[2-(oxolan-2-ylmethylcarbamoyl)phenyl]-2-thiophen-2-yl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 4-methyl-N-[2-(oxolan-2-ylmethylcarbamoyl)phenyl]-2-thiophen-2-yl-1,3-thiazole-5-carboxamide?
The canonical SMILES for 4-methyl-N-[2-(oxolan-2-ylmethylcarbamoyl)phenyl]-2-thiophen-2-yl-1,3-thiazole-5-carboxamide is Cc1nc(-c2cccs2)sc1C(=O)Nc1ccccc1C(=O)NCC1CCCO1.
What is the InChIKey of 4-methyl-N-[2-(oxolan-2-ylmethylcarbamoyl)phenyl]-2-thiophen-2-yl-1,3-thiazole-5-carboxamide?
The InChIKey is BBXMIPXNMMQLMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O3S2/c1-13-18(29-21(23-13)17-9-5-11-28-17)20(26)24-16-8-3-2-7-15(16)19(25)22-12-14-6-4-10-27-14/h2-3,5,7-9,11,14H,4,6,10,12H2,1H3,(H,22,25)(H,24,26).
What are the key properties of 4-methyl-N-[2-(oxolan-2-ylmethylcarbamoyl)phenyl]-2-thiophen-2-yl-1,3-thiazole-5-carboxamide?
4-methyl-N-[2-(oxolan-2-ylmethylcarbamoyl)phenyl]-2-thiophen-2-yl-1,3-thiazole-5-carboxamide has a molecular weight of 427.55 g/mol, XLogP of 4.34, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[2-(oxolan-2-ylmethylcarbamoyl)phenyl]-2-thiophen-2-yl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 46541941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).