2,4-difluoro-N-[3-[[4-(5-methylthiophen-2-yl)-1,3-thiazol-2-yl]amino]-3-oxopropyl]benzamide

C18H15F2N3O2S2 — CID 24597210

IUPAC2,4-difluoro-N-[3-[[4-(5-methylthiophen-2-yl)-1,3-thiazol-2-yl]amino]-3-oxopropyl]benzamide
SMILESCc1ccc(-c2csc(NC(=O)CCNC(=O)c3ccc(F)cc3F)n2)s1
InChIInChI=1S/C18H15F2N3O2S2/c1-10-2-5-15(27-10)14-9-26-18(22-14)23-16(24)6-7-21-17(25)12-4-3-11(19)8-13(12)20/h2-5,8-9H,6-7H2,1H3,(H,21,25)(H,22,23,24)
InChIKeyIGSNPCFKOHQRIT-UHFFFAOYSA-N
MW407.47 g/mol
LogP4.22
Rot. Bonds6

About 2,4-difluoro-N-[3-[[4-(5-methylthiophen-2-yl)-1,3-thiazol-2-yl]amino]-3-oxopropyl]benzamide

2,4-difluoro-N-[3-[[4-(5-methylthiophen-2-yl)-1,3-thiazol-2-yl]amino]-3-oxopropyl]benzamide (PubChem CID 24597210) has the molecular formula C18H15F2N3O2S2 and a molecular weight of 407.47 g/mol. Its IUPAC name is 2,4-difluoro-N-[3-[[4-(5-methylthiophen-2-yl)-1,3-thiazol-2-yl]amino]-3-oxopropyl]benzamide.

Molecular Properties

Compound Name2,4-difluoro-N-[3-[[4-(5-methylthiophen-2-yl)-1,3-thiazol-2-yl]amino]-3-oxopropyl]benzamide
PubChem CID24597210
Molecular FormulaC18H15F2N3O2S2
Molecular Weight407.47 g/mol
Exact Mass407.06
IUPAC Name2,4-difluoro-N-[3-[[4-(5-methylthiophen-2-yl)-1,3-thiazol-2-yl]amino]-3-oxopropyl]benzamide
SMILESCc1ccc(-c2csc(NC(=O)CCNC(=O)c3ccc(F)cc3F)n2)s1
InChIInChI=1S/C18H15F2N3O2S2/c1-10-2-5-15(27-10)14-9-26-18(22-14)23-16(24)6-7-21-17(25)12-4-3-11(19)8-13(12)20/h2-5,8-9H,6-7H2,1H3,(H,21,25)(H,22,23,24)
InChIKeyIGSNPCFKOHQRIT-UHFFFAOYSA-N
XLogP4.22
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.47
LogP ≤ 54.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2,4-difluoro-N-[3-[[4-(5-methylthiophen-2-yl)-1,3-thiazol-2-yl]amino]-3-oxopropyl]benzamide?
The IUPAC name of 2,4-difluoro-N-[3-[[4-(5-methylthiophen-2-yl)-1,3-thiazol-2-yl]amino]-3-oxopropyl]benzamide (CID 24597210) is 2,4-difluoro-N-[3-[[4-(5-methylthiophen-2-yl)-1,3-thiazol-2-yl]amino]-3-oxopropyl]benzamide.
What is the SMILES notation for 2,4-difluoro-N-[3-[[4-(5-methylthiophen-2-yl)-1,3-thiazol-2-yl]amino]-3-oxopropyl]benzamide?
The canonical SMILES for 2,4-difluoro-N-[3-[[4-(5-methylthiophen-2-yl)-1,3-thiazol-2-yl]amino]-3-oxopropyl]benzamide is Cc1ccc(-c2csc(NC(=O)CCNC(=O)c3ccc(F)cc3F)n2)s1.
What is the InChIKey of 2,4-difluoro-N-[3-[[4-(5-methylthiophen-2-yl)-1,3-thiazol-2-yl]amino]-3-oxopropyl]benzamide?
The InChIKey is IGSNPCFKOHQRIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15F2N3O2S2/c1-10-2-5-15(27-10)14-9-26-18(22-14)23-16(24)6-7-21-17(25)12-4-3-11(19)8-13(12)20/h2-5,8-9H,6-7H2,1H3,(H,21,25)(H,22,23,24).
What are the key properties of 2,4-difluoro-N-[3-[[4-(5-methylthiophen-2-yl)-1,3-thiazol-2-yl]amino]-3-oxopropyl]benzamide?
2,4-difluoro-N-[3-[[4-(5-methylthiophen-2-yl)-1,3-thiazol-2-yl]amino]-3-oxopropyl]benzamide has a molecular weight of 407.47 g/mol, XLogP of 4.22, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-difluoro-N-[3-[[4-(5-methylthiophen-2-yl)-1,3-thiazol-2-yl]amino]-3-oxopropyl]benzamide is sourced from PubChem (CID 24597210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).