5-[6-(carbamoylamino)-4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]-3-pyridinyl]-6-ethylpyridine-3-carboxylic acid

C18H14F3N5O3S — CID 143854996

IUPAC5-[6-(carbamoylamino)-4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]-3-pyridinyl]-6-ethylpyridine-3-carboxylic acid
SMILESCCc1ncc(C(=O)O)cc1-c1cnc(NC(N)=O)cc1-c1nc(C(F)(F)F)cs1
InChIInChI=1S/C18H14F3N5O3S/c1-2-12-9(3-8(5-23-12)16(27)28)11-6-24-14(26-17(22)29)4-10(11)15-25-13(7-30-15)18(19,20)21/h3-7H,2H2,1H3,(H,27,28)(H3,22,24,26,29)
InChIKeyFBEJWDQYXLSPCD-UHFFFAOYSA-N
MW437.40 g/mol
LogP4.04
Rot. Bonds5

About 5-[6-(carbamoylamino)-4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]-3-pyridinyl]-6-ethylpyridine-3-carboxylic acid

5-[6-(carbamoylamino)-4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]-3-pyridinyl]-6-ethylpyridine-3-carboxylic acid (PubChem CID 143854996) has the molecular formula C18H14F3N5O3S and a molecular weight of 437.40 g/mol. Its IUPAC name is 5-[6-(carbamoylamino)-4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]-3-pyridinyl]-6-ethylpyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-[6-(carbamoylamino)-4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]-3-pyridinyl]-6-ethylpyridine-3-carboxylic acid
PubChem CID143854996
Molecular FormulaC18H14F3N5O3S
Molecular Weight437.40 g/mol
Exact Mass437.08
IUPAC Name5-[6-(carbamoylamino)-4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]-3-pyridinyl]-6-ethylpyridine-3-carboxylic acid
SMILESCCc1ncc(C(=O)O)cc1-c1cnc(NC(N)=O)cc1-c1nc(C(F)(F)F)cs1
InChIInChI=1S/C18H14F3N5O3S/c1-2-12-9(3-8(5-23-12)16(27)28)11-6-24-14(26-17(22)29)4-10(11)15-25-13(7-30-15)18(19,20)21/h3-7H,2H2,1H3,(H,27,28)(H3,22,24,26,29)
InChIKeyFBEJWDQYXLSPCD-UHFFFAOYSA-N
XLogP4.04
TPSA131.09 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.40
LogP ≤ 54.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 5-[6-(carbamoylamino)-4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]-3-pyridinyl]-6-ethylpyridine-3-carboxylic acid with MolForge

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Related Compounds

6'-[(Ethylcarbamoyl)amino]-4'-[4-(Trifluoromethyl)-1,3-Thiazol-2-Yl]-3,3'-Bipyridine-5-Carboxylic Acid
CID 59208355
4-(4-Pyridin-3-yl-thiazol-2-ylamino)-benzoic acid
CID 704565
1-Ethyl-3-[5-[5-(5-methyl-1,3,4-oxadiazol-2-yl)-3-pyridinyl]-4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]-2-pyridinyl]urea
CID 44205420
1-Ethyl-3-[5-[5-(3-methyl-1,2,4-oxadiazol-5-yl)-3-pyridinyl]-4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]-2-pyridinyl]urea
CID 44205639
6'-(3-Ethylureido)-4'-(4-(trifluoromethyl)thiazol-2-yl)-3,3'-bipyridine-5-carboxamide
CID 59208340
5-[4-(4-Tert-butyl-1,3-thiazol-2-yl)-6-(ethylcarbamoylamino)-3-pyridinyl]pyridine-3-carboxylic acid
CID 25126469
4-{[4-Amino-5-(Pyridin-3-Ylcarbonyl)-1,3-Thiazol-2-Yl]amino}benzoic Acid
CID 73347326
2-(2-Benzamido-1,3-thiazol-4-yl)pyridine-4-carboxylic acid
CID 127031758
5-[6-(Ethylcarbamoylamino)-4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]-3-pyridinyl]-6-(3-methyl-3,8-diazabicyclo[3.2.1]octan-8-yl)pyridine-3-carboxylic acid
CID 145980410
3-[6-(Ethylcarbamoylamino)-4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]-3-pyridinyl]-4-(3-methyl-3,8-diazabicyclo[3.2.1]octan-8-yl)benzoic acid
CID 145986611
Benzoic acid, 4-[[4-(2-pyridinyl)-2-thiazolyl]amino]-
CID 704429
2-[2-oxo-2-[[4-[(E)-2-(4-propan-2-yl-1,3-thiazol-2-yl)ethenyl]-2-pyridinyl]amino]ethyl]benzoic acid
CID 23118387

Frequently Asked Questions

What is the IUPAC name of 5-[6-(carbamoylamino)-4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]-3-pyridinyl]-6-ethylpyridine-3-carboxylic acid?
The IUPAC name of 5-[6-(carbamoylamino)-4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]-3-pyridinyl]-6-ethylpyridine-3-carboxylic acid (CID 143854996) is 5-[6-(carbamoylamino)-4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]-3-pyridinyl]-6-ethylpyridine-3-carboxylic acid.
What is the SMILES notation for 5-[6-(carbamoylamino)-4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]-3-pyridinyl]-6-ethylpyridine-3-carboxylic acid?
The canonical SMILES for 5-[6-(carbamoylamino)-4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]-3-pyridinyl]-6-ethylpyridine-3-carboxylic acid is CCc1ncc(C(=O)O)cc1-c1cnc(NC(N)=O)cc1-c1nc(C(F)(F)F)cs1.
What is the InChIKey of 5-[6-(carbamoylamino)-4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]-3-pyridinyl]-6-ethylpyridine-3-carboxylic acid?
The InChIKey is FBEJWDQYXLSPCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14F3N5O3S/c1-2-12-9(3-8(5-23-12)16(27)28)11-6-24-14(26-17(22)29)4-10(11)15-25-13(7-30-15)18(19,20)21/h3-7H,2H2,1H3,(H,27,28)(H3,22,24,26,29).
What are the key properties of 5-[6-(carbamoylamino)-4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]-3-pyridinyl]-6-ethylpyridine-3-carboxylic acid?
5-[6-(carbamoylamino)-4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]-3-pyridinyl]-6-ethylpyridine-3-carboxylic acid has a molecular weight of 437.40 g/mol, XLogP of 4.04, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[6-(carbamoylamino)-4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]-3-pyridinyl]-6-ethylpyridine-3-carboxylic acid is sourced from PubChem (CID 143854996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).