N-[6-[2-[(2-chloro-6-methylpyrimidin-4-yl)amino]-1,3-thiazol-4-yl]-3,4-dihydro-2H-chromen-4-yl]acetamide

C19H18ClN5O2S — CID 108773181

IUPACN-[6-[2-[(2-chloro-6-methylpyrimidin-4-yl)amino]-1,3-thiazol-4-yl]-3,4-dihydro-2H-chromen-4-yl]acetamide
SMILESCC(=O)NC1CCOc2ccc(-c3csc(Nc4cc(C)nc(Cl)n4)n3)cc21
InChIInChI=1S/C19H18ClN5O2S/c1-10-7-17(24-18(20)21-10)25-19-23-15(9-28-19)12-3-4-16-13(8-12)14(5-6-27-16)22-11(2)26/h3-4,7-9,14H,5-6H2,1-2H3,(H,22,26)(H,21,23,24,25)
InChIKeyHMZKNOBJAOLXMY-UHFFFAOYSA-N
MW415.91 g/mol
LogP4.27
Rot. Bonds4

About N-[6-[2-[(2-chloro-6-methylpyrimidin-4-yl)amino]-1,3-thiazol-4-yl]-3,4-dihydro-2H-chromen-4-yl]acetamide

N-[6-[2-[(2-chloro-6-methylpyrimidin-4-yl)amino]-1,3-thiazol-4-yl]-3,4-dihydro-2H-chromen-4-yl]acetamide (PubChem CID 108773181) has the molecular formula C19H18ClN5O2S and a molecular weight of 415.91 g/mol. Its IUPAC name is N-[6-[2-[(2-chloro-6-methylpyrimidin-4-yl)amino]-1,3-thiazol-4-yl]-3,4-dihydro-2H-chromen-4-yl]acetamide.

Molecular Properties

Compound NameN-[6-[2-[(2-chloro-6-methylpyrimidin-4-yl)amino]-1,3-thiazol-4-yl]-3,4-dihydro-2H-chromen-4-yl]acetamide
PubChem CID108773181
Molecular FormulaC19H18ClN5O2S
Molecular Weight415.91 g/mol
Exact Mass415.09
IUPAC NameN-[6-[2-[(2-chloro-6-methylpyrimidin-4-yl)amino]-1,3-thiazol-4-yl]-3,4-dihydro-2H-chromen-4-yl]acetamide
SMILESCC(=O)NC1CCOc2ccc(-c3csc(Nc4cc(C)nc(Cl)n4)n3)cc21
InChIInChI=1S/C19H18ClN5O2S/c1-10-7-17(24-18(20)21-10)25-19-23-15(9-28-19)12-3-4-16-13(8-12)14(5-6-27-16)22-11(2)26/h3-4,7-9,14H,5-6H2,1-2H3,(H,22,26)(H,21,23,24,25)
InChIKeyHMZKNOBJAOLXMY-UHFFFAOYSA-N
XLogP4.27
TPSA89.03 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.91
LogP ≤ 54.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

(E)-N-[4-(4-acetamido-3,4-dihydro-2H-chromen-6-yl)-1,3-thiazol-2-yl]but-2-enamide
CID 108754392
N-[4-(4-acetamido-3,4-dihydro-2H-chromen-6-yl)-1,3-thiazol-2-yl]-2-chloroacetamide
CID 108730842
N-[4-(4-acetamido-3,4-dihydro-2H-chromen-6-yl)-1,3-thiazol-2-yl]-2-chloropropanamide
CID 108730854
N-[6-(2-amino-1,3-thiazol-4-yl)-3,4-dihydro-2H-chromen-4-yl]acetamide
CID 52983828
N-[4-(4-acetamido-3,4-dihydro-2H-chromen-6-yl)-1,3-thiazol-2-yl]-2-methoxyacetamide
CID 108730892
N-[4-(4-acetamido-3,4-dihydro-2H-chromen-6-yl)-1,3-thiazol-2-yl]butanamide
CID 108730853
N-[4-(4-acetamido-3,4-dihydro-2H-chromen-6-yl)-1,3-thiazol-2-yl]-3,4-dimethylbenzamide
CID 108730820
N-[6-[2-(benzenesulfonamido)-1,3-thiazol-4-yl]-3,4-dihydro-2H-chromen-4-yl]acetamide
CID 108781114
N-[6-[2-[(3-pyrrolidin-1-ylquinoxalin-2-yl)amino]-1,3-thiazol-4-yl]-3,4-dihydro-2H-chromen-4-yl]acetamide
CID 108773175
N-[6-[2-[(4-acetamidophenyl)sulfonylamino]-1,3-thiazol-4-yl]-3,4-dihydro-2H-chromen-4-yl]acetamide
CID 108781109
N-[4-(4-acetamido-3,4-dihydro-2H-chromen-6-yl)-1,3-thiazol-2-yl]-2-(1-adamantyl)acetamide
CID 108754425
N-[6-[2-[(4-methoxyphenyl)sulfonylamino]-1,3-thiazol-4-yl]-3,4-dihydro-2H-chromen-4-yl]acetamide
CID 108781116

Frequently Asked Questions

What is the IUPAC name of N-[6-[2-[(2-chloro-6-methylpyrimidin-4-yl)amino]-1,3-thiazol-4-yl]-3,4-dihydro-2H-chromen-4-yl]acetamide?
The IUPAC name of N-[6-[2-[(2-chloro-6-methylpyrimidin-4-yl)amino]-1,3-thiazol-4-yl]-3,4-dihydro-2H-chromen-4-yl]acetamide (CID 108773181) is N-[6-[2-[(2-chloro-6-methylpyrimidin-4-yl)amino]-1,3-thiazol-4-yl]-3,4-dihydro-2H-chromen-4-yl]acetamide.
What is the SMILES notation for N-[6-[2-[(2-chloro-6-methylpyrimidin-4-yl)amino]-1,3-thiazol-4-yl]-3,4-dihydro-2H-chromen-4-yl]acetamide?
The canonical SMILES for N-[6-[2-[(2-chloro-6-methylpyrimidin-4-yl)amino]-1,3-thiazol-4-yl]-3,4-dihydro-2H-chromen-4-yl]acetamide is CC(=O)NC1CCOc2ccc(-c3csc(Nc4cc(C)nc(Cl)n4)n3)cc21.
What is the InChIKey of N-[6-[2-[(2-chloro-6-methylpyrimidin-4-yl)amino]-1,3-thiazol-4-yl]-3,4-dihydro-2H-chromen-4-yl]acetamide?
The InChIKey is HMZKNOBJAOLXMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClN5O2S/c1-10-7-17(24-18(20)21-10)25-19-23-15(9-28-19)12-3-4-16-13(8-12)14(5-6-27-16)22-11(2)26/h3-4,7-9,14H,5-6H2,1-2H3,(H,22,26)(H,21,23,24,25).
What are the key properties of N-[6-[2-[(2-chloro-6-methylpyrimidin-4-yl)amino]-1,3-thiazol-4-yl]-3,4-dihydro-2H-chromen-4-yl]acetamide?
N-[6-[2-[(2-chloro-6-methylpyrimidin-4-yl)amino]-1,3-thiazol-4-yl]-3,4-dihydro-2H-chromen-4-yl]acetamide has a molecular weight of 415.91 g/mol, XLogP of 4.27, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[2-[(2-chloro-6-methylpyrimidin-4-yl)amino]-1,3-thiazol-4-yl]-3,4-dihydro-2H-chromen-4-yl]acetamide is sourced from PubChem (CID 108773181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).