N-[1-(1-methylindazol-3-yl)-2-(1,3-thiazol-5-yl)ethyl]propan-1-amine

C16H20N4S — CID 103128049

IUPACN-[1-(1-methylindazol-3-yl)-2-(1,3-thiazol-5-yl)ethyl]propan-1-amine
SMILESCCCNC(Cc1cncs1)c1nn(C)c2ccccc12
InChIInChI=1S/C16H20N4S/c1-3-8-18-14(9-12-10-17-11-21-12)16-13-6-4-5-7-15(13)20(2)19-16/h4-7,10-11,14,18H,3,8-9H2,1-2H3
InChIKeyWQMVKWWAAPTACD-UHFFFAOYSA-N
MW300.43 g/mol
LogP3.31
Rot. Bonds6

About N-[1-(1-methylindazol-3-yl)-2-(1,3-thiazol-5-yl)ethyl]propan-1-amine

N-[1-(1-methylindazol-3-yl)-2-(1,3-thiazol-5-yl)ethyl]propan-1-amine (PubChem CID 103128049) has the molecular formula C16H20N4S and a molecular weight of 300.43 g/mol. Its IUPAC name is N-[1-(1-methylindazol-3-yl)-2-(1,3-thiazol-5-yl)ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-(1-methylindazol-3-yl)-2-(1,3-thiazol-5-yl)ethyl]propan-1-amine
PubChem CID103128049
Molecular FormulaC16H20N4S
Molecular Weight300.43 g/mol
Exact Mass300.14
IUPAC NameN-[1-(1-methylindazol-3-yl)-2-(1,3-thiazol-5-yl)ethyl]propan-1-amine
SMILESCCCNC(Cc1cncs1)c1nn(C)c2ccccc12
InChIInChI=1S/C16H20N4S/c1-3-8-18-14(9-12-10-17-11-21-12)16-13-6-4-5-7-15(13)20(2)19-16/h4-7,10-11,14,18H,3,8-9H2,1-2H3
InChIKeyWQMVKWWAAPTACD-UHFFFAOYSA-N
XLogP3.31
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.43
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-(2-bromophenyl)-2-(1,3-thiazol-5-yl)ethyl]propan-1-amine
CID 112642896
N-[1-pyrimidin-2-yl-2-(1,3-thiazol-5-yl)ethyl]propan-1-amine
CID 112642835
2-ethyl-1-(1-methylindazol-3-yl)-N-propylbutan-1-amine
CID 103127777
N-ethyl-1-(1-methylindazol-3-yl)butan-1-amine
CID 103125829
N-ethyl-1-(1-methylindazol-3-yl)octan-1-amine
CID 103126554
1-(1-methylindazol-3-yl)propylhydrazine
CID 103129371
N-[(1-methylindazol-3-yl)-(1-methylpyrazol-3-yl)methyl]propan-1-amine
CID 103134392
N-methyl-1-(1-methylindazol-3-yl)octan-1-amine
CID 103126552
N-[1-(2-bromo-3-methylphenyl)-2-(1,3-thiazol-5-yl)ethyl]propan-1-amine
CID 107985343
N-[(1-methylindazol-3-yl)-(1-methylpyrazol-4-yl)methyl]propan-1-amine
CID 103126319
1-(1-methylindazol-3-yl)-2-(1,3-thiazol-5-yl)ethanone
CID 103125222
N-[1-(3-chloro-4-methylthiophen-2-yl)-2-(1,3-thiazol-5-yl)ethyl]propan-1-amine
CID 103407156

Frequently Asked Questions

What is the IUPAC name of N-[1-(1-methylindazol-3-yl)-2-(1,3-thiazol-5-yl)ethyl]propan-1-amine?
The IUPAC name of N-[1-(1-methylindazol-3-yl)-2-(1,3-thiazol-5-yl)ethyl]propan-1-amine (CID 103128049) is N-[1-(1-methylindazol-3-yl)-2-(1,3-thiazol-5-yl)ethyl]propan-1-amine.
What is the SMILES notation for N-[1-(1-methylindazol-3-yl)-2-(1,3-thiazol-5-yl)ethyl]propan-1-amine?
The canonical SMILES for N-[1-(1-methylindazol-3-yl)-2-(1,3-thiazol-5-yl)ethyl]propan-1-amine is CCCNC(Cc1cncs1)c1nn(C)c2ccccc12.
What is the InChIKey of N-[1-(1-methylindazol-3-yl)-2-(1,3-thiazol-5-yl)ethyl]propan-1-amine?
The InChIKey is WQMVKWWAAPTACD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4S/c1-3-8-18-14(9-12-10-17-11-21-12)16-13-6-4-5-7-15(13)20(2)19-16/h4-7,10-11,14,18H,3,8-9H2,1-2H3.
What are the key properties of N-[1-(1-methylindazol-3-yl)-2-(1,3-thiazol-5-yl)ethyl]propan-1-amine?
N-[1-(1-methylindazol-3-yl)-2-(1,3-thiazol-5-yl)ethyl]propan-1-amine has a molecular weight of 300.43 g/mol, XLogP of 3.31, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1-methylindazol-3-yl)-2-(1,3-thiazol-5-yl)ethyl]propan-1-amine is sourced from PubChem (CID 103128049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).