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

C22H15Cl2F3N8O2S — CID 25159602

IUPAC2-[1-[[5-chloro-6-(pyridin-2-ylamino)pyrimidine-4-carbonyl]amino]ethyl]-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide
SMILESCC(NC(=O)c1ncnc(Nc2ccccn2)c1Cl)c1ncc(C(=O)Nc2cc(C(F)(F)F)c(Cl)cn2)s1
InChIInChI=1S/C22H15Cl2F3N8O2S/c1-10(33-20(37)17-16(24)18(32-9-31-17)34-14-4-2-3-5-28-14)21-30-8-13(38-21)19(36)35-15-6-11(22(25,26)27)12(23)7-29-15/h2-10H,1H3,(H,33,37)(H,29,35,36)(H,28,31,32,34)
InChIKeyDTZSFEMBFAYTMT-UHFFFAOYSA-N
MW583.38 g/mol
LogP5.54
Rot. Bonds7

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

2-[1-[[5-chloro-6-(pyridin-2-ylamino)pyrimidine-4-carbonyl]amino]ethyl]-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide (PubChem CID 25159602) has the molecular formula C22H15Cl2F3N8O2S and a molecular weight of 583.38 g/mol. Its IUPAC name is 2-[1-[[5-chloro-6-(pyridin-2-ylamino)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-(pyridin-2-ylamino)pyrimidine-4-carbonyl]amino]ethyl]-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide
PubChem CID25159602
Molecular FormulaC22H15Cl2F3N8O2S
Molecular Weight583.38 g/mol
Exact Mass582.04
IUPAC Name2-[1-[[5-chloro-6-(pyridin-2-ylamino)pyrimidine-4-carbonyl]amino]ethyl]-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide
SMILESCC(NC(=O)c1ncnc(Nc2ccccn2)c1Cl)c1ncc(C(=O)Nc2cc(C(F)(F)F)c(Cl)cn2)s1
InChIInChI=1S/C22H15Cl2F3N8O2S/c1-10(33-20(37)17-16(24)18(32-9-31-17)34-14-4-2-3-5-28-14)21-30-8-13(38-21)19(36)35-15-6-11(22(25,26)27)12(23)7-29-15/h2-10H,1H3,(H,33,37)(H,29,35,36)(H,28,31,32,34)
InChIKeyDTZSFEMBFAYTMT-UHFFFAOYSA-N
XLogP5.54
TPSA134.68 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500583.38
LogP ≤ 55.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

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

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[[5-chloro-6-(pyridin-2-ylamino)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-(pyridin-2-ylamino)pyrimidine-4-carbonyl]amino]ethyl]-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide (CID 25159602) is 2-[1-[[5-chloro-6-(pyridin-2-ylamino)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-(pyridin-2-ylamino)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-(pyridin-2-ylamino)pyrimidine-4-carbonyl]amino]ethyl]-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide is CC(NC(=O)c1ncnc(Nc2ccccn2)c1Cl)c1ncc(C(=O)Nc2cc(C(F)(F)F)c(Cl)cn2)s1.
What is the InChIKey of 2-[1-[[5-chloro-6-(pyridin-2-ylamino)pyrimidine-4-carbonyl]amino]ethyl]-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide?
The InChIKey is DTZSFEMBFAYTMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15Cl2F3N8O2S/c1-10(33-20(37)17-16(24)18(32-9-31-17)34-14-4-2-3-5-28-14)21-30-8-13(38-21)19(36)35-15-6-11(22(25,26)27)12(23)7-29-15/h2-10H,1H3,(H,33,37)(H,29,35,36)(H,28,31,32,34).
What are the key properties of 2-[1-[[5-chloro-6-(pyridin-2-ylamino)pyrimidine-4-carbonyl]amino]ethyl]-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide?
2-[1-[[5-chloro-6-(pyridin-2-ylamino)pyrimidine-4-carbonyl]amino]ethyl]-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide has a molecular weight of 583.38 g/mol, XLogP of 5.54, 7 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[[5-chloro-6-(pyridin-2-ylamino)pyrimidine-4-carbonyl]amino]ethyl]-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 25159602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).