2-amino-N-[5-[(5-cyclopropylsulfonyl-2-pyridinyl)carbamoyl]-4-fluoro-2-methylphenyl]-1,3-thiazole-5-carboxamide

C20H18FN5O4S2 — CID 176733126

IUPAC2-amino-N-[5-[(5-cyclopropylsulfonyl-2-pyridinyl)carbamoyl]-4-fluoro-2-methylphenyl]-1,3-thiazole-5-carboxamide
SMILESCc1cc(F)c(C(=O)Nc2ccc(S(=O)(=O)C3CC3)cn2)cc1NC(=O)c1cnc(N)s1
InChIInChI=1S/C20H18FN5O4S2/c1-10-6-14(21)13(7-15(10)25-19(28)16-9-24-20(22)31-16)18(27)26-17-5-4-12(8-23-17)32(29,30)11-2-3-11/h4-9,11H,2-3H2,1H3,(H2,22,24)(H,25,28)(H,23,26,27)
InChIKeyYLSWSZMCFTVVPG-UHFFFAOYSA-N
MW475.53 g/mol
LogP3.01
Rot. Bonds6

About 2-amino-N-[5-[(5-cyclopropylsulfonyl-2-pyridinyl)carbamoyl]-4-fluoro-2-methylphenyl]-1,3-thiazole-5-carboxamide

2-amino-N-[5-[(5-cyclopropylsulfonyl-2-pyridinyl)carbamoyl]-4-fluoro-2-methylphenyl]-1,3-thiazole-5-carboxamide (PubChem CID 176733126) has the molecular formula C20H18FN5O4S2 and a molecular weight of 475.53 g/mol. Its IUPAC name is 2-amino-N-[5-[(5-cyclopropylsulfonyl-2-pyridinyl)carbamoyl]-4-fluoro-2-methylphenyl]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-amino-N-[5-[(5-cyclopropylsulfonyl-2-pyridinyl)carbamoyl]-4-fluoro-2-methylphenyl]-1,3-thiazole-5-carboxamide
PubChem CID176733126
Molecular FormulaC20H18FN5O4S2
Molecular Weight475.53 g/mol
Exact Mass475.08
IUPAC Name2-amino-N-[5-[(5-cyclopropylsulfonyl-2-pyridinyl)carbamoyl]-4-fluoro-2-methylphenyl]-1,3-thiazole-5-carboxamide
SMILESCc1cc(F)c(C(=O)Nc2ccc(S(=O)(=O)C3CC3)cn2)cc1NC(=O)c1cnc(N)s1
InChIInChI=1S/C20H18FN5O4S2/c1-10-6-14(21)13(7-15(10)25-19(28)16-9-24-20(22)31-16)18(27)26-17-5-4-12(8-23-17)32(29,30)11-2-3-11/h4-9,11H,2-3H2,1H3,(H2,22,24)(H,25,28)(H,23,26,27)
InChIKeyYLSWSZMCFTVVPG-UHFFFAOYSA-N
XLogP3.01
TPSA144.14 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.53
LogP ≤ 53.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[5-[(5-cyclopropylsulfonyl-2-pyridinyl)carbamoyl]-4-fluoro-2-methylphenyl]-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-amino-N-[5-[(5-cyclopropylsulfonyl-2-pyridinyl)carbamoyl]-4-fluoro-2-methylphenyl]-1,3-thiazole-5-carboxamide (CID 176733126) is 2-amino-N-[5-[(5-cyclopropylsulfonyl-2-pyridinyl)carbamoyl]-4-fluoro-2-methylphenyl]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-amino-N-[5-[(5-cyclopropylsulfonyl-2-pyridinyl)carbamoyl]-4-fluoro-2-methylphenyl]-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-amino-N-[5-[(5-cyclopropylsulfonyl-2-pyridinyl)carbamoyl]-4-fluoro-2-methylphenyl]-1,3-thiazole-5-carboxamide is Cc1cc(F)c(C(=O)Nc2ccc(S(=O)(=O)C3CC3)cn2)cc1NC(=O)c1cnc(N)s1.
What is the InChIKey of 2-amino-N-[5-[(5-cyclopropylsulfonyl-2-pyridinyl)carbamoyl]-4-fluoro-2-methylphenyl]-1,3-thiazole-5-carboxamide?
The InChIKey is YLSWSZMCFTVVPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18FN5O4S2/c1-10-6-14(21)13(7-15(10)25-19(28)16-9-24-20(22)31-16)18(27)26-17-5-4-12(8-23-17)32(29,30)11-2-3-11/h4-9,11H,2-3H2,1H3,(H2,22,24)(H,25,28)(H,23,26,27).
What are the key properties of 2-amino-N-[5-[(5-cyclopropylsulfonyl-2-pyridinyl)carbamoyl]-4-fluoro-2-methylphenyl]-1,3-thiazole-5-carboxamide?
2-amino-N-[5-[(5-cyclopropylsulfonyl-2-pyridinyl)carbamoyl]-4-fluoro-2-methylphenyl]-1,3-thiazole-5-carboxamide has a molecular weight of 475.53 g/mol, XLogP of 3.01, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[5-[(5-cyclopropylsulfonyl-2-pyridinyl)carbamoyl]-4-fluoro-2-methylphenyl]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 176733126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).