N-(furan-2-ylmethyl)-5-[1-(4-methoxyphenyl)pyrazol-3-yl]-4-methyl-1,3-thiazol-2-amine

C19H18N4O2S — CID 26321861

IUPACN-(furan-2-ylmethyl)-5-[1-(4-methoxyphenyl)pyrazol-3-yl]-4-methyl-1,3-thiazol-2-amine
SMILESCOc1ccc(-n2ccc(-c3sc(NCc4ccco4)nc3C)n2)cc1
InChIInChI=1S/C19H18N4O2S/c1-13-18(26-19(21-13)20-12-16-4-3-11-25-16)17-9-10-23(22-17)14-5-7-15(24-2)8-6-14/h3-11H,12H2,1-2H3,(H,20,21)
InChIKeyBKPVVDBRFNVSGT-UHFFFAOYSA-N
MW366.45 g/mol
LogP4.52
Rot. Bonds6

About N-(furan-2-ylmethyl)-5-[1-(4-methoxyphenyl)pyrazol-3-yl]-4-methyl-1,3-thiazol-2-amine

N-(furan-2-ylmethyl)-5-[1-(4-methoxyphenyl)pyrazol-3-yl]-4-methyl-1,3-thiazol-2-amine (PubChem CID 26321861) has the molecular formula C19H18N4O2S and a molecular weight of 366.45 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-5-[1-(4-methoxyphenyl)pyrazol-3-yl]-4-methyl-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-5-[1-(4-methoxyphenyl)pyrazol-3-yl]-4-methyl-1,3-thiazol-2-amine
PubChem CID26321861
Molecular FormulaC19H18N4O2S
Molecular Weight366.45 g/mol
Exact Mass366.12
IUPAC NameN-(furan-2-ylmethyl)-5-[1-(4-methoxyphenyl)pyrazol-3-yl]-4-methyl-1,3-thiazol-2-amine
SMILESCOc1ccc(-n2ccc(-c3sc(NCc4ccco4)nc3C)n2)cc1
InChIInChI=1S/C19H18N4O2S/c1-13-18(26-19(21-13)20-12-16-4-3-11-25-16)17-9-10-23(22-17)14-5-7-15(24-2)8-6-14/h3-11H,12H2,1-2H3,(H,20,21)
InChIKeyBKPVVDBRFNVSGT-UHFFFAOYSA-N
XLogP4.52
TPSA65.11 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.45
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(1,3-benzodioxol-5-ylmethyl)-5-[1-(4-methoxyphenyl)pyrazol-3-yl]-4-methyl-1,3-thiazol-2-amine
CID 25327297
5-[1-(cyclopropylmethyl)pyrazol-3-yl]-N-(furan-2-ylmethyl)-4-methyl-1,3-thiazol-2-amine
CID 56851838
N-(furan-2-ylmethyl)-4,5-dimethyl-1,3-thiazol-2-amine
CID 9167847
1-(furan-2-ylmethyl)-3-[[1-(4-methoxyphenyl)pyrazol-3-yl]methyl]-2-methylguanidine
CID 75493916
5-[1-(1,3-benzodioxol-5-yl)pyrazol-3-yl]-N-(cyclopropylmethyl)-4-methyl-1,3-thiazol-2-amine
CID 26346619
N-(furan-2-ylmethyl)-1,3-bis(4-methoxyphenyl)pyrazole-5-carboxamide
CID 4597615
N-(furan-2-ylmethyl)-4,7-dimethyl-1,3-benzothiazol-2-amine
CID 71300260
1-ethyl-3-(furan-2-ylmethyl)-2-[[1-(4-methoxyphenyl)pyrazol-3-yl]methyl]guanidine;hydroiodide
CID 110937213
N-(3,4-dimethoxyphenyl)-2-(furan-2-ylmethylamino)-4-methyl-1,3-thiazole-5-carboxamide
CID 53152853
N-(furan-2-ylmethyl)-1-(4-methoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 661026
(1S,4S)-N-(furan-2-ylmethyl)-4-[1-(4-methoxyphenyl)-3,5-dimethylpyrazol-4-yl]cyclopent-2-en-1-amine
CID 25390098
6-N-(furan-2-ylmethyl)-4-N-(4-methoxyphenyl)-2-methylpyrimidine-4,6-diamine
CID 112871420

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-5-[1-(4-methoxyphenyl)pyrazol-3-yl]-4-methyl-1,3-thiazol-2-amine?
The IUPAC name of N-(furan-2-ylmethyl)-5-[1-(4-methoxyphenyl)pyrazol-3-yl]-4-methyl-1,3-thiazol-2-amine (CID 26321861) is N-(furan-2-ylmethyl)-5-[1-(4-methoxyphenyl)pyrazol-3-yl]-4-methyl-1,3-thiazol-2-amine.
What is the SMILES notation for N-(furan-2-ylmethyl)-5-[1-(4-methoxyphenyl)pyrazol-3-yl]-4-methyl-1,3-thiazol-2-amine?
The canonical SMILES for N-(furan-2-ylmethyl)-5-[1-(4-methoxyphenyl)pyrazol-3-yl]-4-methyl-1,3-thiazol-2-amine is COc1ccc(-n2ccc(-c3sc(NCc4ccco4)nc3C)n2)cc1.
What is the InChIKey of N-(furan-2-ylmethyl)-5-[1-(4-methoxyphenyl)pyrazol-3-yl]-4-methyl-1,3-thiazol-2-amine?
The InChIKey is BKPVVDBRFNVSGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O2S/c1-13-18(26-19(21-13)20-12-16-4-3-11-25-16)17-9-10-23(22-17)14-5-7-15(24-2)8-6-14/h3-11H,12H2,1-2H3,(H,20,21).
What are the key properties of N-(furan-2-ylmethyl)-5-[1-(4-methoxyphenyl)pyrazol-3-yl]-4-methyl-1,3-thiazol-2-amine?
N-(furan-2-ylmethyl)-5-[1-(4-methoxyphenyl)pyrazol-3-yl]-4-methyl-1,3-thiazol-2-amine has a molecular weight of 366.45 g/mol, XLogP of 4.52, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-5-[1-(4-methoxyphenyl)pyrazol-3-yl]-4-methyl-1,3-thiazol-2-amine is sourced from PubChem (CID 26321861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).