2-[1-[[5-chloro-6-(ethylamino)pyrimidine-4-carbonyl]amino]ethyl]-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide

C19H16Cl2F3N7O2S — CID 25159345

IUPAC2-[1-[[5-chloro-6-(ethylamino)pyrimidine-4-carbonyl]amino]ethyl]-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide
SMILESCCNc1ncnc(C(=O)NC(C)c2ncc(C(=O)Nc3cc(C(F)(F)F)c(Cl)cn3)s2)c1Cl
InChIInChI=1S/C19H16Cl2F3N7O2S/c1-3-25-15-13(21)14(28-7-29-15)17(33)30-8(2)18-27-6-11(34-18)16(32)31-12-4-9(19(22,23)24)10(20)5-26-12/h4-8H,3H2,1-2H3,(H,30,33)(H,25,28,29)(H,26,31,32)
InChIKeyGQMZKGKEICIEQV-UHFFFAOYSA-N
MW534.35 g/mol
LogP4.83
Rot. Bonds7

About 2-[1-[[5-chloro-6-(ethylamino)pyrimidine-4-carbonyl]amino]ethyl]-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide

2-[1-[[5-chloro-6-(ethylamino)pyrimidine-4-carbonyl]amino]ethyl]-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide (PubChem CID 25159345) has the molecular formula C19H16Cl2F3N7O2S and a molecular weight of 534.35 g/mol. Its IUPAC name is 2-[1-[[5-chloro-6-(ethylamino)pyrimidine-4-carbonyl]amino]ethyl]-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-[1-[[5-chloro-6-(ethylamino)pyrimidine-4-carbonyl]amino]ethyl]-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide
PubChem CID25159345
Molecular FormulaC19H16Cl2F3N7O2S
Molecular Weight534.35 g/mol
Exact Mass533.04
IUPAC Name2-[1-[[5-chloro-6-(ethylamino)pyrimidine-4-carbonyl]amino]ethyl]-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide
SMILESCCNc1ncnc(C(=O)NC(C)c2ncc(C(=O)Nc3cc(C(F)(F)F)c(Cl)cn3)s2)c1Cl
InChIInChI=1S/C19H16Cl2F3N7O2S/c1-3-25-15-13(21)14(28-7-29-15)17(33)30-8(2)18-27-6-11(34-18)16(32)31-12-4-9(19(22,23)24)10(20)5-26-12/h4-8H,3H2,1-2H3,(H,30,33)(H,25,28,29)(H,26,31,32)
InChIKeyGQMZKGKEICIEQV-UHFFFAOYSA-N
XLogP4.83
TPSA121.79 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500534.35
LogP ≤ 54.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze 2-[1-[[5-chloro-6-(ethylamino)pyrimidine-4-carbonyl]amino]ethyl]-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[1-[[5-chloro-6-(ethylamino)pyrimidine-4-carbonyl]amino]ethyl]-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-[1-[[5-chloro-6-(ethylamino)pyrimidine-4-carbonyl]amino]ethyl]-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide (CID 25159345) is 2-[1-[[5-chloro-6-(ethylamino)pyrimidine-4-carbonyl]amino]ethyl]-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-[1-[[5-chloro-6-(ethylamino)pyrimidine-4-carbonyl]amino]ethyl]-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-[1-[[5-chloro-6-(ethylamino)pyrimidine-4-carbonyl]amino]ethyl]-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide is CCNc1ncnc(C(=O)NC(C)c2ncc(C(=O)Nc3cc(C(F)(F)F)c(Cl)cn3)s2)c1Cl.
What is the InChIKey of 2-[1-[[5-chloro-6-(ethylamino)pyrimidine-4-carbonyl]amino]ethyl]-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide?
The InChIKey is GQMZKGKEICIEQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16Cl2F3N7O2S/c1-3-25-15-13(21)14(28-7-29-15)17(33)30-8(2)18-27-6-11(34-18)16(32)31-12-4-9(19(22,23)24)10(20)5-26-12/h4-8H,3H2,1-2H3,(H,30,33)(H,25,28,29)(H,26,31,32).
What are the key properties of 2-[1-[[5-chloro-6-(ethylamino)pyrimidine-4-carbonyl]amino]ethyl]-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide?
2-[1-[[5-chloro-6-(ethylamino)pyrimidine-4-carbonyl]amino]ethyl]-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide has a molecular weight of 534.35 g/mol, XLogP of 4.83, 7 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[[5-chloro-6-(ethylamino)pyrimidine-4-carbonyl]amino]ethyl]-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 25159345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).