N-[4-(furan-2-yl)-1,3-thiazol-2-yl]-2-[(6-methyl-2-pyridinyl)amino]-1,3-thiazole-4-carboxamide

C17H13N5O2S2 — CID 90509929

IUPACN-[4-(furan-2-yl)-1,3-thiazol-2-yl]-2-[(6-methyl-2-pyridinyl)amino]-1,3-thiazole-4-carboxamide
SMILESCc1cccc(Nc2nc(C(=O)Nc3nc(-c4ccco4)cs3)cs2)n1
InChIInChI=1S/C17H13N5O2S2/c1-10-4-2-6-14(18-10)21-16-20-12(9-26-16)15(23)22-17-19-11(8-25-17)13-5-3-7-24-13/h2-9H,1H3,(H,18,20,21)(H,19,22,23)
InChIKeyACZSDJUTCCHOQA-UHFFFAOYSA-N
MW383.46 g/mol
LogP4.56
Rot. Bonds5

About N-[4-(furan-2-yl)-1,3-thiazol-2-yl]-2-[(6-methyl-2-pyridinyl)amino]-1,3-thiazole-4-carboxamide

N-[4-(furan-2-yl)-1,3-thiazol-2-yl]-2-[(6-methyl-2-pyridinyl)amino]-1,3-thiazole-4-carboxamide (PubChem CID 90509929) has the molecular formula C17H13N5O2S2 and a molecular weight of 383.46 g/mol. Its IUPAC name is N-[4-(furan-2-yl)-1,3-thiazol-2-yl]-2-[(6-methyl-2-pyridinyl)amino]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-[4-(furan-2-yl)-1,3-thiazol-2-yl]-2-[(6-methyl-2-pyridinyl)amino]-1,3-thiazole-4-carboxamide
PubChem CID90509929
Molecular FormulaC17H13N5O2S2
Molecular Weight383.46 g/mol
Exact Mass383.05
IUPAC NameN-[4-(furan-2-yl)-1,3-thiazol-2-yl]-2-[(6-methyl-2-pyridinyl)amino]-1,3-thiazole-4-carboxamide
SMILESCc1cccc(Nc2nc(C(=O)Nc3nc(-c4ccco4)cs3)cs2)n1
InChIInChI=1S/C17H13N5O2S2/c1-10-4-2-6-14(18-10)21-16-20-12(9-26-16)15(23)22-17-19-11(8-25-17)13-5-3-7-24-13/h2-9H,1H3,(H,18,20,21)(H,19,22,23)
InChIKeyACZSDJUTCCHOQA-UHFFFAOYSA-N
XLogP4.56
TPSA92.94 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.46
LogP ≤ 54.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

N-[2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]ethyl]-2-[(6-methyl-2-pyridinyl)amino]-1,3-thiazole-4-carboxamide
CID 90510124
N-(4-bromophenyl)-2-[(6-methyl-2-pyridinyl)amino]-1,3-thiazole-4-carboxamide
CID 90510013
2-(furan-2-yl)-N-(4-methyl-1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide
CID 36703482
methyl 4-[[2-[(6-methyl-2-pyridinyl)amino]-1,3-thiazole-4-carbonyl]amino]benzoate
CID 90510028
2-methyl-N-(6-methyl-2-pyridinyl)-1,3-thiazole-4-carboxamide
CID 47445423
N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-2-[(6-methyl-2-pyridinyl)amino]-1,3-thiazole-4-carboxamide
CID 90510075
2-[(6-methylpyridine-2-carbonyl)amino]-1,3-thiazole-4-carboxamide
CID 110472181
ethyl 2-[(6-methyl-2-pyridinyl)amino]-1,3-thiazole-4-carboxylate
CID 52903989
1-chloro-N-[4-(furan-2-yl)-1,3-thiazol-2-yl]isoquinoline-3-carboxamide
CID 55780190
2-(furan-2-yl)-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide
CID 36771348
ethyl 2-[[4-(furan-2-yl)-1,3-thiazol-2-yl]amino]-2-oxoacetate
CID 3068161
butyl 4-[[2-[(6-methyl-2-pyridinyl)amino]-1,3-thiazole-4-carbonyl]amino]benzoate
CID 90510030

Frequently Asked Questions

What is the IUPAC name of N-[4-(furan-2-yl)-1,3-thiazol-2-yl]-2-[(6-methyl-2-pyridinyl)amino]-1,3-thiazole-4-carboxamide?
The IUPAC name of N-[4-(furan-2-yl)-1,3-thiazol-2-yl]-2-[(6-methyl-2-pyridinyl)amino]-1,3-thiazole-4-carboxamide (CID 90509929) is N-[4-(furan-2-yl)-1,3-thiazol-2-yl]-2-[(6-methyl-2-pyridinyl)amino]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-[4-(furan-2-yl)-1,3-thiazol-2-yl]-2-[(6-methyl-2-pyridinyl)amino]-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-[4-(furan-2-yl)-1,3-thiazol-2-yl]-2-[(6-methyl-2-pyridinyl)amino]-1,3-thiazole-4-carboxamide is Cc1cccc(Nc2nc(C(=O)Nc3nc(-c4ccco4)cs3)cs2)n1.
What is the InChIKey of N-[4-(furan-2-yl)-1,3-thiazol-2-yl]-2-[(6-methyl-2-pyridinyl)amino]-1,3-thiazole-4-carboxamide?
The InChIKey is ACZSDJUTCCHOQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13N5O2S2/c1-10-4-2-6-14(18-10)21-16-20-12(9-26-16)15(23)22-17-19-11(8-25-17)13-5-3-7-24-13/h2-9H,1H3,(H,18,20,21)(H,19,22,23).
What are the key properties of N-[4-(furan-2-yl)-1,3-thiazol-2-yl]-2-[(6-methyl-2-pyridinyl)amino]-1,3-thiazole-4-carboxamide?
N-[4-(furan-2-yl)-1,3-thiazol-2-yl]-2-[(6-methyl-2-pyridinyl)amino]-1,3-thiazole-4-carboxamide has a molecular weight of 383.46 g/mol, XLogP of 4.56, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(furan-2-yl)-1,3-thiazol-2-yl]-2-[(6-methyl-2-pyridinyl)amino]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 90509929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).