N-[[4-(cyclopropylsulfonylamino)-2-pyridinyl]methyl]-5-[5-(trifluoromethyl)-3-pyridinyl]-1,3-thiazole-2-carboxamide

C19H16F3N5O3S2 — CID 163270965

IUPACN-[[4-(cyclopropylsulfonylamino)-2-pyridinyl]methyl]-5-[5-(trifluoromethyl)-3-pyridinyl]-1,3-thiazole-2-carboxamide
SMILESO=C(NCc1cc(NS(=O)(=O)C2CC2)ccn1)c1ncc(-c2cncc(C(F)(F)F)c2)s1
InChIInChI=1S/C19H16F3N5O3S2/c20-19(21,22)12-5-11(7-23-8-12)16-10-26-18(31-16)17(28)25-9-14-6-13(3-4-24-14)27-32(29,30)15-1-2-15/h3-8,10,15H,1-2,9H2,(H,24,27)(H,25,28)
InChIKeyQRDKCVMYDWTCMK-UHFFFAOYSA-N
MW483.50 g/mol
LogP3.45
Rot. Bonds7

About N-[[4-(cyclopropylsulfonylamino)-2-pyridinyl]methyl]-5-[5-(trifluoromethyl)-3-pyridinyl]-1,3-thiazole-2-carboxamide

N-[[4-(cyclopropylsulfonylamino)-2-pyridinyl]methyl]-5-[5-(trifluoromethyl)-3-pyridinyl]-1,3-thiazole-2-carboxamide (PubChem CID 163270965) has the molecular formula C19H16F3N5O3S2 and a molecular weight of 483.50 g/mol. Its IUPAC name is N-[[4-(cyclopropylsulfonylamino)-2-pyridinyl]methyl]-5-[5-(trifluoromethyl)-3-pyridinyl]-1,3-thiazole-2-carboxamide.

Molecular Properties

Compound NameN-[[4-(cyclopropylsulfonylamino)-2-pyridinyl]methyl]-5-[5-(trifluoromethyl)-3-pyridinyl]-1,3-thiazole-2-carboxamide
PubChem CID163270965
Molecular FormulaC19H16F3N5O3S2
Molecular Weight483.50 g/mol
Exact Mass483.06
IUPAC NameN-[[4-(cyclopropylsulfonylamino)-2-pyridinyl]methyl]-5-[5-(trifluoromethyl)-3-pyridinyl]-1,3-thiazole-2-carboxamide
SMILESO=C(NCc1cc(NS(=O)(=O)C2CC2)ccn1)c1ncc(-c2cncc(C(F)(F)F)c2)s1
InChIInChI=1S/C19H16F3N5O3S2/c20-19(21,22)12-5-11(7-23-8-12)16-10-26-18(31-16)17(28)25-9-14-6-13(3-4-24-14)27-32(29,30)15-1-2-15/h3-8,10,15H,1-2,9H2,(H,24,27)(H,25,28)
InChIKeyQRDKCVMYDWTCMK-UHFFFAOYSA-N
XLogP3.45
TPSA113.94 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.50
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[[4-(cyclopropylsulfonylamino)-2-pyridinyl]methyl]-5-[5-(trifluoromethyl)-3-pyridinyl]-1,3-thiazole-2-carboxamide?
The IUPAC name of N-[[4-(cyclopropylsulfonylamino)-2-pyridinyl]methyl]-5-[5-(trifluoromethyl)-3-pyridinyl]-1,3-thiazole-2-carboxamide (CID 163270965) is N-[[4-(cyclopropylsulfonylamino)-2-pyridinyl]methyl]-5-[5-(trifluoromethyl)-3-pyridinyl]-1,3-thiazole-2-carboxamide.
What is the SMILES notation for N-[[4-(cyclopropylsulfonylamino)-2-pyridinyl]methyl]-5-[5-(trifluoromethyl)-3-pyridinyl]-1,3-thiazole-2-carboxamide?
The canonical SMILES for N-[[4-(cyclopropylsulfonylamino)-2-pyridinyl]methyl]-5-[5-(trifluoromethyl)-3-pyridinyl]-1,3-thiazole-2-carboxamide is O=C(NCc1cc(NS(=O)(=O)C2CC2)ccn1)c1ncc(-c2cncc(C(F)(F)F)c2)s1.
What is the InChIKey of N-[[4-(cyclopropylsulfonylamino)-2-pyridinyl]methyl]-5-[5-(trifluoromethyl)-3-pyridinyl]-1,3-thiazole-2-carboxamide?
The InChIKey is QRDKCVMYDWTCMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F3N5O3S2/c20-19(21,22)12-5-11(7-23-8-12)16-10-26-18(31-16)17(28)25-9-14-6-13(3-4-24-14)27-32(29,30)15-1-2-15/h3-8,10,15H,1-2,9H2,(H,24,27)(H,25,28).
What are the key properties of N-[[4-(cyclopropylsulfonylamino)-2-pyridinyl]methyl]-5-[5-(trifluoromethyl)-3-pyridinyl]-1,3-thiazole-2-carboxamide?
N-[[4-(cyclopropylsulfonylamino)-2-pyridinyl]methyl]-5-[5-(trifluoromethyl)-3-pyridinyl]-1,3-thiazole-2-carboxamide has a molecular weight of 483.50 g/mol, XLogP of 3.45, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(cyclopropylsulfonylamino)-2-pyridinyl]methyl]-5-[5-(trifluoromethyl)-3-pyridinyl]-1,3-thiazole-2-carboxamide is sourced from PubChem (CID 163270965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).