N-[2-(5-chloro-1,3-dimethylpyrazol-4-yl)-1-(4-methyl-1,3-thiazol-5-yl)ethyl]propan-1-amine

C14H21ClN4S — CID 105180346

IUPACN-[2-(5-chloro-1,3-dimethylpyrazol-4-yl)-1-(4-methyl-1,3-thiazol-5-yl)ethyl]propan-1-amine
SMILESCCCNC(Cc1c(C)nn(C)c1Cl)c1scnc1C
InChIInChI=1S/C14H21ClN4S/c1-5-6-16-12(13-10(3)17-8-20-13)7-11-9(2)18-19(4)14(11)15/h8,12,16H,5-7H2,1-4H3
InChIKeyJRRGENUFRSOZFX-UHFFFAOYSA-N
MW312.87 g/mol
LogP3.43
Rot. Bonds6

About N-[2-(5-chloro-1,3-dimethylpyrazol-4-yl)-1-(4-methyl-1,3-thiazol-5-yl)ethyl]propan-1-amine

N-[2-(5-chloro-1,3-dimethylpyrazol-4-yl)-1-(4-methyl-1,3-thiazol-5-yl)ethyl]propan-1-amine (PubChem CID 105180346) has the molecular formula C14H21ClN4S and a molecular weight of 312.87 g/mol. Its IUPAC name is N-[2-(5-chloro-1,3-dimethylpyrazol-4-yl)-1-(4-methyl-1,3-thiazol-5-yl)ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[2-(5-chloro-1,3-dimethylpyrazol-4-yl)-1-(4-methyl-1,3-thiazol-5-yl)ethyl]propan-1-amine
PubChem CID105180346
Molecular FormulaC14H21ClN4S
Molecular Weight312.87 g/mol
Exact Mass312.12
IUPAC NameN-[2-(5-chloro-1,3-dimethylpyrazol-4-yl)-1-(4-methyl-1,3-thiazol-5-yl)ethyl]propan-1-amine
SMILESCCCNC(Cc1c(C)nn(C)c1Cl)c1scnc1C
InChIInChI=1S/C14H21ClN4S/c1-5-6-16-12(13-10(3)17-8-20-13)7-11-9(2)18-19(4)14(11)15/h8,12,16H,5-7H2,1-4H3
InChIKeyJRRGENUFRSOZFX-UHFFFAOYSA-N
XLogP3.43
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.87
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(4-chloro-1,3-dimethylpyrazol-5-yl)-1-(4-methyl-1,3-thiazol-5-yl)ethyl]propan-1-amine
CID 105158823
N-[2-(5-chlorothiophen-2-yl)-1-(4-methyl-1,3-thiazol-5-yl)ethyl]propan-1-amine
CID 105135164
N-[2-(5-chloro-1,3-dimethylpyrazol-4-yl)-1-(3-chloro-4-pyridinyl)ethyl]propan-1-amine
CID 105180389
N-[2-(4-ethylphenyl)-1-(4-methyl-1,3-thiazol-5-yl)ethyl]propan-1-amine
CID 105101589
N-[2-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)-1-(4-methyl-1,3-thiazol-5-yl)ethyl]propan-1-amine
CID 105159702
N-[2-ethoxy-1-(4-methyl-1,3-thiazol-5-yl)ethyl]propan-1-amine
CID 105165095
1-(5-chloro-1,3-dimethylpyrazol-4-yl)-3-methyl-N-propylhexan-2-amine
CID 105035167
N-[2-(2-bromophenyl)-1-(4-methyl-1,3-thiazol-5-yl)ethyl]propan-1-amine
CID 105087531
1-(5-chloro-1,3-dimethylpyrazol-4-yl)-3-methoxy-N-propylpentan-2-amine
CID 116716017
N-[2-(5-bromo-3-pyridinyl)-1-(4-methyl-1,3-thiazol-5-yl)ethyl]propan-1-amine
CID 105181205
3-methylsulfonyl-1-(4-methyl-1,3-thiazol-5-yl)-N-propylpropan-1-amine
CID 114984204
4-methoxy-1-(4-methyl-1,3-thiazol-5-yl)-N-propylbutan-1-amine
CID 105190197

Frequently Asked Questions

What is the IUPAC name of N-[2-(5-chloro-1,3-dimethylpyrazol-4-yl)-1-(4-methyl-1,3-thiazol-5-yl)ethyl]propan-1-amine?
The IUPAC name of N-[2-(5-chloro-1,3-dimethylpyrazol-4-yl)-1-(4-methyl-1,3-thiazol-5-yl)ethyl]propan-1-amine (CID 105180346) is N-[2-(5-chloro-1,3-dimethylpyrazol-4-yl)-1-(4-methyl-1,3-thiazol-5-yl)ethyl]propan-1-amine.
What is the SMILES notation for N-[2-(5-chloro-1,3-dimethylpyrazol-4-yl)-1-(4-methyl-1,3-thiazol-5-yl)ethyl]propan-1-amine?
The canonical SMILES for N-[2-(5-chloro-1,3-dimethylpyrazol-4-yl)-1-(4-methyl-1,3-thiazol-5-yl)ethyl]propan-1-amine is CCCNC(Cc1c(C)nn(C)c1Cl)c1scnc1C.
What is the InChIKey of N-[2-(5-chloro-1,3-dimethylpyrazol-4-yl)-1-(4-methyl-1,3-thiazol-5-yl)ethyl]propan-1-amine?
The InChIKey is JRRGENUFRSOZFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN4S/c1-5-6-16-12(13-10(3)17-8-20-13)7-11-9(2)18-19(4)14(11)15/h8,12,16H,5-7H2,1-4H3.
What are the key properties of N-[2-(5-chloro-1,3-dimethylpyrazol-4-yl)-1-(4-methyl-1,3-thiazol-5-yl)ethyl]propan-1-amine?
N-[2-(5-chloro-1,3-dimethylpyrazol-4-yl)-1-(4-methyl-1,3-thiazol-5-yl)ethyl]propan-1-amine has a molecular weight of 312.87 g/mol, XLogP of 3.43, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-chloro-1,3-dimethylpyrazol-4-yl)-1-(4-methyl-1,3-thiazol-5-yl)ethyl]propan-1-amine is sourced from PubChem (CID 105180346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).