(1S)-N-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]-1-(1,3,5-trimethylpyrazol-4-yl)ethanamine

C16H20N4S2 — CID 95762918

IUPAC(1S)-N-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]-1-(1,3,5-trimethylpyrazol-4-yl)ethanamine
SMILESCc1nn(C)c(C)c1[C@H](C)NCc1csc(-c2ccsc2)n1
InChIInChI=1S/C16H20N4S2/c1-10(15-11(2)19-20(4)12(15)3)17-7-14-9-22-16(18-14)13-5-6-21-8-13/h5-6,8-10,17H,7H2,1-4H3/t10-/m0/s1
InChIKeyUARKUBBMAPKRPY-JTQLQIEISA-N
MW332.50 g/mol
LogP4.07
Rot. Bonds5

About (1S)-N-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]-1-(1,3,5-trimethylpyrazol-4-yl)ethanamine

(1S)-N-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]-1-(1,3,5-trimethylpyrazol-4-yl)ethanamine (PubChem CID 95762918) has the molecular formula C16H20N4S2 and a molecular weight of 332.50 g/mol. Its IUPAC name is (1S)-N-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]-1-(1,3,5-trimethylpyrazol-4-yl)ethanamine.

Molecular Properties

Compound Name(1S)-N-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]-1-(1,3,5-trimethylpyrazol-4-yl)ethanamine
PubChem CID95762918
Molecular FormulaC16H20N4S2
Molecular Weight332.50 g/mol
Exact Mass332.11
IUPAC Name(1S)-N-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]-1-(1,3,5-trimethylpyrazol-4-yl)ethanamine
SMILESCc1nn(C)c(C)c1[C@H](C)NCc1csc(-c2ccsc2)n1
InChIInChI=1S/C16H20N4S2/c1-10(15-11(2)19-20(4)12(15)3)17-7-14-9-22-16(18-14)13-5-6-21-8-13/h5-6,8-10,17H,7H2,1-4H3/t10-/m0/s1
InChIKeyUARKUBBMAPKRPY-JTQLQIEISA-N
XLogP4.07
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.50
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-methyl-N-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]propan-1-amine
CID 115573430
2-methyl-3-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methylamino]butan-1-ol
CID 111448602
(2S)-1-pyrazol-1-yl-N-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]propan-2-amine
CID 95274931
4-(bromomethyl)-2-thiophen-3-yl-1,3-thiazole
CID 81222713
4-butan-2-yl-2-thiophen-3-yl-1,3-thiazole
CID 115686479
2-methyl-N-[1-(1,3,5-trimethylpyrazol-4-yl)ethyl]butan-1-amine
CID 62692855
3-thiophen-3-yl-5-[1-(1,3,5-trimethylpyrazol-4-yl)propan-2-yl]-1,2,4-oxadiazole
CID 126790097
1-(dimethylamino)-3-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methylamino]propan-2-ol
CID 111579179
N-[(2,5-difluorophenyl)methyl]-1-(1,3,5-trimethylpyrazol-4-yl)ethanamine
CID 63379067
3-methyl-3-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methylamino]butan-1-ol
CID 111469045
2-ethyl-N-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]aniline
CID 78817000
1-(furan-2-yl)-2-(2-methylpropoxy)-N-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]ethanamine
CID 119106925

Frequently Asked Questions

What is the IUPAC name of (1S)-N-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]-1-(1,3,5-trimethylpyrazol-4-yl)ethanamine?
The IUPAC name of (1S)-N-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]-1-(1,3,5-trimethylpyrazol-4-yl)ethanamine (CID 95762918) is (1S)-N-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]-1-(1,3,5-trimethylpyrazol-4-yl)ethanamine.
What is the SMILES notation for (1S)-N-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]-1-(1,3,5-trimethylpyrazol-4-yl)ethanamine?
The canonical SMILES for (1S)-N-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]-1-(1,3,5-trimethylpyrazol-4-yl)ethanamine is Cc1nn(C)c(C)c1[C@H](C)NCc1csc(-c2ccsc2)n1.
What is the InChIKey of (1S)-N-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]-1-(1,3,5-trimethylpyrazol-4-yl)ethanamine?
The InChIKey is UARKUBBMAPKRPY-JTQLQIEISA-N. The full InChI is InChI=1S/C16H20N4S2/c1-10(15-11(2)19-20(4)12(15)3)17-7-14-9-22-16(18-14)13-5-6-21-8-13/h5-6,8-10,17H,7H2,1-4H3/t10-/m0/s1.
What are the key properties of (1S)-N-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]-1-(1,3,5-trimethylpyrazol-4-yl)ethanamine?
(1S)-N-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]-1-(1,3,5-trimethylpyrazol-4-yl)ethanamine has a molecular weight of 332.50 g/mol, XLogP of 4.07, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-N-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]-1-(1,3,5-trimethylpyrazol-4-yl)ethanamine is sourced from PubChem (CID 95762918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).