(1S)-N,N-dimethyl-1-thiophen-2-yl-N'-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]ethane-1,2-diamine

C16H20N4S2 — CID 94514889

IUPAC(1S)-N,N-dimethyl-1-thiophen-2-yl-N'-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]ethane-1,2-diamine
SMILESCN(C)[C@@H](CNCc1cn[nH]c1-c1cccs1)c1cccs1
InChIInChI=1S/C16H20N4S2/c1-20(2)13(14-5-3-7-21-14)11-17-9-12-10-18-19-16(12)15-6-4-8-22-15/h3-8,10,13,17H,9,11H2,1-2H3,(H,18,19)/t13-/m0/s1
InChIKeyNQPYCGNRZPTMFQ-ZDUSSCGKSA-N
MW332.50 g/mol
LogP3.59
Rot. Bonds7

About (1S)-N,N-dimethyl-1-thiophen-2-yl-N'-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]ethane-1,2-diamine

(1S)-N,N-dimethyl-1-thiophen-2-yl-N'-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]ethane-1,2-diamine (PubChem CID 94514889) has the molecular formula C16H20N4S2 and a molecular weight of 332.50 g/mol. Its IUPAC name is (1S)-N,N-dimethyl-1-thiophen-2-yl-N'-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]ethane-1,2-diamine.

Molecular Properties

Compound Name(1S)-N,N-dimethyl-1-thiophen-2-yl-N'-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]ethane-1,2-diamine
PubChem CID94514889
Molecular FormulaC16H20N4S2
Molecular Weight332.50 g/mol
Exact Mass332.11
IUPAC Name(1S)-N,N-dimethyl-1-thiophen-2-yl-N'-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]ethane-1,2-diamine
SMILESCN(C)[C@@H](CNCc1cn[nH]c1-c1cccs1)c1cccs1
InChIInChI=1S/C16H20N4S2/c1-20(2)13(14-5-3-7-21-14)11-17-9-12-10-18-19-16(12)15-6-4-8-22-15/h3-8,10,13,17H,9,11H2,1-2H3,(H,18,19)/t13-/m0/s1
InChIKeyNQPYCGNRZPTMFQ-ZDUSSCGKSA-N
XLogP3.59
TPSA43.95 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.50
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Launch Full Analysis

Related Compounds

1-thiophen-2-yl-N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]ethanamine
CID 43233218
2-methyl-1-thiophen-2-yl-N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]propan-1-amine
CID 43233315
3,3-dimethyl-N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]butan-1-amine
CID 47185945
N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]prop-2-en-1-amine
CID 43233175
N-[(1-methylcyclopropyl)methyl]-1-(5-thiophen-2-yl-1H-pyrazol-4-yl)methanamine
CID 103724288
3-fluoro-N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]propan-1-amine
CID 115733069
1-(2-fluorophenyl)-N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]methanamine
CID 43233210
(E)-N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]pent-3-en-1-amine
CID 115628993
3-methylsulfonyl-N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]propan-1-amine
CID 54905369
1-(4-methyl-3-pyridinyl)-N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]methanamine
CID 114954740
1-(4-chlorophenyl)-N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]methanamine
CID 43233196
N,N-dimethyl-N'-(1,3-thiazol-2-ylmethyl)-1-thiophen-2-ylethane-1,2-diamine
CID 55208645

Frequently Asked Questions

What is the IUPAC name of (1S)-N,N-dimethyl-1-thiophen-2-yl-N'-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]ethane-1,2-diamine?
The IUPAC name of (1S)-N,N-dimethyl-1-thiophen-2-yl-N'-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]ethane-1,2-diamine (CID 94514889) is (1S)-N,N-dimethyl-1-thiophen-2-yl-N'-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]ethane-1,2-diamine.
What is the SMILES notation for (1S)-N,N-dimethyl-1-thiophen-2-yl-N'-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]ethane-1,2-diamine?
The canonical SMILES for (1S)-N,N-dimethyl-1-thiophen-2-yl-N'-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]ethane-1,2-diamine is CN(C)[C@@H](CNCc1cn[nH]c1-c1cccs1)c1cccs1.
What is the InChIKey of (1S)-N,N-dimethyl-1-thiophen-2-yl-N'-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]ethane-1,2-diamine?
The InChIKey is NQPYCGNRZPTMFQ-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H20N4S2/c1-20(2)13(14-5-3-7-21-14)11-17-9-12-10-18-19-16(12)15-6-4-8-22-15/h3-8,10,13,17H,9,11H2,1-2H3,(H,18,19)/t13-/m0/s1.
What are the key properties of (1S)-N,N-dimethyl-1-thiophen-2-yl-N'-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]ethane-1,2-diamine?
(1S)-N,N-dimethyl-1-thiophen-2-yl-N'-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]ethane-1,2-diamine has a molecular weight of 332.50 g/mol, XLogP of 3.59, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-N,N-dimethyl-1-thiophen-2-yl-N'-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]ethane-1,2-diamine is sourced from PubChem (CID 94514889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).