N-cyclohexyl-6-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]pyridine-3-carboxamide

C20H23N5OS2 — CID 121476982

IUPACN-cyclohexyl-6-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]pyridine-3-carboxamide
SMILESCc1nc(C)c(-c2csc(Nc3ccc(C(=O)NC4CCCCC4)cn3)n2)s1
InChIInChI=1S/C20H23N5OS2/c1-12-18(28-13(2)22-12)16-11-27-20(24-16)25-17-9-8-14(10-21-17)19(26)23-15-6-4-3-5-7-15/h8-11,15H,3-7H2,1-2H3,(H,23,26)(H,21,24,25)
InChIKeyLNNYWNHLRWZJCX-UHFFFAOYSA-N
MW413.57 g/mol
LogP5.08
Rot. Bonds5

About N-cyclohexyl-6-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]pyridine-3-carboxamide

N-cyclohexyl-6-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]pyridine-3-carboxamide (PubChem CID 121476982) has the molecular formula C20H23N5OS2 and a molecular weight of 413.57 g/mol. Its IUPAC name is N-cyclohexyl-6-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-6-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]pyridine-3-carboxamide
PubChem CID121476982
Molecular FormulaC20H23N5OS2
Molecular Weight413.57 g/mol
Exact Mass413.13
IUPAC NameN-cyclohexyl-6-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]pyridine-3-carboxamide
SMILESCc1nc(C)c(-c2csc(Nc3ccc(C(=O)NC4CCCCC4)cn3)n2)s1
InChIInChI=1S/C20H23N5OS2/c1-12-18(28-13(2)22-12)16-11-27-20(24-16)25-17-9-8-14(10-21-17)19(26)23-15-6-4-3-5-7-15/h8-11,15H,3-7H2,1-2H3,(H,23,26)(H,21,24,25)
InChIKeyLNNYWNHLRWZJCX-UHFFFAOYSA-N
XLogP5.08
TPSA79.80 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500413.57
LogP ≤ 55.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-6-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]pyridine-3-carboxamide?
The IUPAC name of N-cyclohexyl-6-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]pyridine-3-carboxamide (CID 121476982) is N-cyclohexyl-6-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]pyridine-3-carboxamide.
What is the SMILES notation for N-cyclohexyl-6-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]pyridine-3-carboxamide?
The canonical SMILES for N-cyclohexyl-6-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]pyridine-3-carboxamide is Cc1nc(C)c(-c2csc(Nc3ccc(C(=O)NC4CCCCC4)cn3)n2)s1.
What is the InChIKey of N-cyclohexyl-6-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]pyridine-3-carboxamide?
The InChIKey is LNNYWNHLRWZJCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5OS2/c1-12-18(28-13(2)22-12)16-11-27-20(24-16)25-17-9-8-14(10-21-17)19(26)23-15-6-4-3-5-7-15/h8-11,15H,3-7H2,1-2H3,(H,23,26)(H,21,24,25).
What are the key properties of N-cyclohexyl-6-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]pyridine-3-carboxamide?
N-cyclohexyl-6-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]pyridine-3-carboxamide has a molecular weight of 413.57 g/mol, XLogP of 5.08, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-6-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]pyridine-3-carboxamide is sourced from PubChem (CID 121476982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).