N-(2-methylsulfanylphenyl)-4-(4-pyrrolidin-1-ylphenyl)-1,3-thiazol-2-amine

C20H21N3S2 — CID 59429751

IUPACN-(2-methylsulfanylphenyl)-4-(4-pyrrolidin-1-ylphenyl)-1,3-thiazol-2-amine
SMILESCSc1ccccc1Nc1nc(-c2ccc(N3CCCC3)cc2)cs1
InChIInChI=1S/C20H21N3S2/c1-24-19-7-3-2-6-17(19)21-20-22-18(14-25-20)15-8-10-16(11-9-15)23-12-4-5-13-23/h2-3,6-11,14H,4-5,12-13H2,1H3,(H,21,22)
InChIKeyQRKOLADGTRFAGU-UHFFFAOYSA-N
MW367.54 g/mol
LogP5.88
Rot. Bonds5

About N-(2-methylsulfanylphenyl)-4-(4-pyrrolidin-1-ylphenyl)-1,3-thiazol-2-amine

N-(2-methylsulfanylphenyl)-4-(4-pyrrolidin-1-ylphenyl)-1,3-thiazol-2-amine (PubChem CID 59429751) has the molecular formula C20H21N3S2 and a molecular weight of 367.54 g/mol. Its IUPAC name is N-(2-methylsulfanylphenyl)-4-(4-pyrrolidin-1-ylphenyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-(2-methylsulfanylphenyl)-4-(4-pyrrolidin-1-ylphenyl)-1,3-thiazol-2-amine
PubChem CID59429751
Molecular FormulaC20H21N3S2
Molecular Weight367.54 g/mol
Exact Mass367.12
IUPAC NameN-(2-methylsulfanylphenyl)-4-(4-pyrrolidin-1-ylphenyl)-1,3-thiazol-2-amine
SMILESCSc1ccccc1Nc1nc(-c2ccc(N3CCCC3)cc2)cs1
InChIInChI=1S/C20H21N3S2/c1-24-19-7-3-2-6-17(19)21-20-22-18(14-25-20)15-8-10-16(11-9-15)23-12-4-5-13-23/h2-3,6-11,14H,4-5,12-13H2,1H3,(H,21,22)
InChIKeyQRKOLADGTRFAGU-UHFFFAOYSA-N
XLogP5.88
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500367.54
LogP ≤ 55.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-methyl-4-(4-pyrrolidin-1-ylphenyl)-1,3-thiazol-2-amine
CID 59088623
N-(4-fluorophenyl)-4-(4-pyrrolidin-1-ylphenyl)-1,3-thiazol-2-amine
CID 134126795
N-isoquinolin-5-yl-4-(4-pyrrolidin-1-ylphenyl)-1,3-thiazol-2-amine
CID 10150381
N-(2-phenylethyl)-4-(4-pyrrolidin-1-ylphenyl)-1,3-thiazol-2-amine
CID 58910960
4-[[4-(4-pyrrolidin-1-ylphenyl)-1,3-thiazol-2-yl]amino]benzoic acid
CID 10150294
N-(4-nitrophenyl)-4-(4-pyrrolidin-1-ylphenyl)-1,3-thiazol-2-amine
CID 59088612
4-[4-(4-methylpiperazin-1-yl)phenyl]-N-naphthalen-2-yl-1,3-thiazol-2-amine
CID 58910720
4-phenyl-N-(4-piperazin-1-ylphenyl)-1,3-thiazol-2-amine
CID 117097264
ethyl 4-[[4-(4-pyrrolidin-1-ylphenyl)-1,3-thiazol-2-yl]amino]benzoate
CID 58910528
N-(4-iodophenyl)-4-[4-(4-methylpiperazin-1-yl)phenyl]-1,3-thiazol-2-amine
CID 58910824
4-(1,3-benzodioxol-5-yl)-N-(4-piperidin-1-ylphenyl)-1,3-thiazol-2-amine
CID 58910672
N-(3,4-dimethylphenyl)-4-[4-(4-methylpiperazin-1-yl)phenyl]-1,3-thiazol-2-amine
CID 59626916

Frequently Asked Questions

What is the IUPAC name of N-(2-methylsulfanylphenyl)-4-(4-pyrrolidin-1-ylphenyl)-1,3-thiazol-2-amine?
The IUPAC name of N-(2-methylsulfanylphenyl)-4-(4-pyrrolidin-1-ylphenyl)-1,3-thiazol-2-amine (CID 59429751) is N-(2-methylsulfanylphenyl)-4-(4-pyrrolidin-1-ylphenyl)-1,3-thiazol-2-amine.
What is the SMILES notation for N-(2-methylsulfanylphenyl)-4-(4-pyrrolidin-1-ylphenyl)-1,3-thiazol-2-amine?
The canonical SMILES for N-(2-methylsulfanylphenyl)-4-(4-pyrrolidin-1-ylphenyl)-1,3-thiazol-2-amine is CSc1ccccc1Nc1nc(-c2ccc(N3CCCC3)cc2)cs1.
What is the InChIKey of N-(2-methylsulfanylphenyl)-4-(4-pyrrolidin-1-ylphenyl)-1,3-thiazol-2-amine?
The InChIKey is QRKOLADGTRFAGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3S2/c1-24-19-7-3-2-6-17(19)21-20-22-18(14-25-20)15-8-10-16(11-9-15)23-12-4-5-13-23/h2-3,6-11,14H,4-5,12-13H2,1H3,(H,21,22).
What are the key properties of N-(2-methylsulfanylphenyl)-4-(4-pyrrolidin-1-ylphenyl)-1,3-thiazol-2-amine?
N-(2-methylsulfanylphenyl)-4-(4-pyrrolidin-1-ylphenyl)-1,3-thiazol-2-amine has a molecular weight of 367.54 g/mol, XLogP of 5.88, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylsulfanylphenyl)-4-(4-pyrrolidin-1-ylphenyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 59429751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).