2-[1-[[5-chloro-6-(2-hydroxyethylamino)pyrimidine-4-carbonyl]amino]ethyl]-1,3-thiazole-5-carboxamide

C13H15ClN6O3S — CID 71035653

IUPAC2-[1-[[5-chloro-6-(2-hydroxyethylamino)pyrimidine-4-carbonyl]amino]ethyl]-1,3-thiazole-5-carboxamide
SMILESCC(NC(=O)c1ncnc(NCCO)c1Cl)c1ncc(C(N)=O)s1
InChIInChI=1S/C13H15ClN6O3S/c1-6(13-17-4-7(24-13)10(15)22)20-12(23)9-8(14)11(16-2-3-21)19-5-18-9/h4-6,21H,2-3H2,1H3,(H2,15,22)(H,20,23)(H,16,18,19)
InChIKeyVAEXLLGVDDOOQO-UHFFFAOYSA-N
MW370.82 g/mol
LogP0.58
Rot. Bonds7

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

2-[1-[[5-chloro-6-(2-hydroxyethylamino)pyrimidine-4-carbonyl]amino]ethyl]-1,3-thiazole-5-carboxamide (PubChem CID 71035653) has the molecular formula C13H15ClN6O3S and a molecular weight of 370.82 g/mol. Its IUPAC name is 2-[1-[[5-chloro-6-(2-hydroxyethylamino)pyrimidine-4-carbonyl]amino]ethyl]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-[1-[[5-chloro-6-(2-hydroxyethylamino)pyrimidine-4-carbonyl]amino]ethyl]-1,3-thiazole-5-carboxamide
PubChem CID71035653
Molecular FormulaC13H15ClN6O3S
Molecular Weight370.82 g/mol
Exact Mass370.06
IUPAC Name2-[1-[[5-chloro-6-(2-hydroxyethylamino)pyrimidine-4-carbonyl]amino]ethyl]-1,3-thiazole-5-carboxamide
SMILESCC(NC(=O)c1ncnc(NCCO)c1Cl)c1ncc(C(N)=O)s1
InChIInChI=1S/C13H15ClN6O3S/c1-6(13-17-4-7(24-13)10(15)22)20-12(23)9-8(14)11(16-2-3-21)19-5-18-9/h4-6,21H,2-3H2,1H3,(H2,15,22)(H,20,23)(H,16,18,19)
InChIKeyVAEXLLGVDDOOQO-UHFFFAOYSA-N
XLogP0.58
TPSA143.12 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.82
LogP ≤ 50.58
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[[5-chloro-6-(2-hydroxyethylamino)pyrimidine-4-carbonyl]amino]ethyl]-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-[1-[[5-chloro-6-(2-hydroxyethylamino)pyrimidine-4-carbonyl]amino]ethyl]-1,3-thiazole-5-carboxamide (CID 71035653) is 2-[1-[[5-chloro-6-(2-hydroxyethylamino)pyrimidine-4-carbonyl]amino]ethyl]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-[1-[[5-chloro-6-(2-hydroxyethylamino)pyrimidine-4-carbonyl]amino]ethyl]-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-[1-[[5-chloro-6-(2-hydroxyethylamino)pyrimidine-4-carbonyl]amino]ethyl]-1,3-thiazole-5-carboxamide is CC(NC(=O)c1ncnc(NCCO)c1Cl)c1ncc(C(N)=O)s1.
What is the InChIKey of 2-[1-[[5-chloro-6-(2-hydroxyethylamino)pyrimidine-4-carbonyl]amino]ethyl]-1,3-thiazole-5-carboxamide?
The InChIKey is VAEXLLGVDDOOQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN6O3S/c1-6(13-17-4-7(24-13)10(15)22)20-12(23)9-8(14)11(16-2-3-21)19-5-18-9/h4-6,21H,2-3H2,1H3,(H2,15,22)(H,20,23)(H,16,18,19).
What are the key properties of 2-[1-[[5-chloro-6-(2-hydroxyethylamino)pyrimidine-4-carbonyl]amino]ethyl]-1,3-thiazole-5-carboxamide?
2-[1-[[5-chloro-6-(2-hydroxyethylamino)pyrimidine-4-carbonyl]amino]ethyl]-1,3-thiazole-5-carboxamide has a molecular weight of 370.82 g/mol, XLogP of 0.58, 7 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[[5-chloro-6-(2-hydroxyethylamino)pyrimidine-4-carbonyl]amino]ethyl]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 71035653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).