N-[1-[2-(cyclopropylsulfonylamino)-1,3-thiazol-4-yl]cyclopropyl]-5-(4-methylimidazol-1-yl)pyridine-2-carboxamide

C19H20N6O3S2 — CID 163271081

IUPACN-[1-[2-(cyclopropylsulfonylamino)-1,3-thiazol-4-yl]cyclopropyl]-5-(4-methylimidazol-1-yl)pyridine-2-carboxamide
SMILESCc1cn(-c2ccc(C(=O)NC3(c4csc(NS(=O)(=O)C5CC5)n4)CC3)nc2)cn1
InChIInChI=1S/C19H20N6O3S2/c1-12-9-25(11-21-12)13-2-5-15(20-8-13)17(26)23-19(6-7-19)16-10-29-18(22-16)24-30(27,28)14-3-4-14/h2,5,8-11,14H,3-4,6-7H2,1H3,(H,22,24)(H,23,26)
InChIKeyWAUVDLXLUQMSQK-UHFFFAOYSA-N
MW444.54 g/mol
LogP2.36
Rot. Bonds7

About N-[1-[2-(cyclopropylsulfonylamino)-1,3-thiazol-4-yl]cyclopropyl]-5-(4-methylimidazol-1-yl)pyridine-2-carboxamide

N-[1-[2-(cyclopropylsulfonylamino)-1,3-thiazol-4-yl]cyclopropyl]-5-(4-methylimidazol-1-yl)pyridine-2-carboxamide (PubChem CID 163271081) has the molecular formula C19H20N6O3S2 and a molecular weight of 444.54 g/mol. Its IUPAC name is N-[1-[2-(cyclopropylsulfonylamino)-1,3-thiazol-4-yl]cyclopropyl]-5-(4-methylimidazol-1-yl)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[1-[2-(cyclopropylsulfonylamino)-1,3-thiazol-4-yl]cyclopropyl]-5-(4-methylimidazol-1-yl)pyridine-2-carboxamide
PubChem CID163271081
Molecular FormulaC19H20N6O3S2
Molecular Weight444.54 g/mol
Exact Mass444.10
IUPAC NameN-[1-[2-(cyclopropylsulfonylamino)-1,3-thiazol-4-yl]cyclopropyl]-5-(4-methylimidazol-1-yl)pyridine-2-carboxamide
SMILESCc1cn(-c2ccc(C(=O)NC3(c4csc(NS(=O)(=O)C5CC5)n4)CC3)nc2)cn1
InChIInChI=1S/C19H20N6O3S2/c1-12-9-25(11-21-12)13-2-5-15(20-8-13)17(26)23-19(6-7-19)16-10-29-18(22-16)24-30(27,28)14-3-4-14/h2,5,8-11,14H,3-4,6-7H2,1H3,(H,22,24)(H,23,26)
InChIKeyWAUVDLXLUQMSQK-UHFFFAOYSA-N
XLogP2.36
TPSA118.87 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.54
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(cyclopropylsulfonylamino)-1,3-thiazol-4-yl]cyclopropyl]-5-(4-methylimidazol-1-yl)pyridine-2-carboxamide?
The IUPAC name of N-[1-[2-(cyclopropylsulfonylamino)-1,3-thiazol-4-yl]cyclopropyl]-5-(4-methylimidazol-1-yl)pyridine-2-carboxamide (CID 163271081) is N-[1-[2-(cyclopropylsulfonylamino)-1,3-thiazol-4-yl]cyclopropyl]-5-(4-methylimidazol-1-yl)pyridine-2-carboxamide.
What is the SMILES notation for N-[1-[2-(cyclopropylsulfonylamino)-1,3-thiazol-4-yl]cyclopropyl]-5-(4-methylimidazol-1-yl)pyridine-2-carboxamide?
The canonical SMILES for N-[1-[2-(cyclopropylsulfonylamino)-1,3-thiazol-4-yl]cyclopropyl]-5-(4-methylimidazol-1-yl)pyridine-2-carboxamide is Cc1cn(-c2ccc(C(=O)NC3(c4csc(NS(=O)(=O)C5CC5)n4)CC3)nc2)cn1.
What is the InChIKey of N-[1-[2-(cyclopropylsulfonylamino)-1,3-thiazol-4-yl]cyclopropyl]-5-(4-methylimidazol-1-yl)pyridine-2-carboxamide?
The InChIKey is WAUVDLXLUQMSQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N6O3S2/c1-12-9-25(11-21-12)13-2-5-15(20-8-13)17(26)23-19(6-7-19)16-10-29-18(22-16)24-30(27,28)14-3-4-14/h2,5,8-11,14H,3-4,6-7H2,1H3,(H,22,24)(H,23,26).
What are the key properties of N-[1-[2-(cyclopropylsulfonylamino)-1,3-thiazol-4-yl]cyclopropyl]-5-(4-methylimidazol-1-yl)pyridine-2-carboxamide?
N-[1-[2-(cyclopropylsulfonylamino)-1,3-thiazol-4-yl]cyclopropyl]-5-(4-methylimidazol-1-yl)pyridine-2-carboxamide has a molecular weight of 444.54 g/mol, XLogP of 2.36, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-(cyclopropylsulfonylamino)-1,3-thiazol-4-yl]cyclopropyl]-5-(4-methylimidazol-1-yl)pyridine-2-carboxamide is sourced from PubChem (CID 163271081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).