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

C14H21ClN4OS — CID 105190004

IUPACN-[[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-(4-methyl-1,3-thiazol-5-yl)methyl]propan-1-amine
SMILESCCCNC(c1scnc1C)c1c(Cl)cnn1CCOC
InChIInChI=1S/C14H21ClN4OS/c1-4-5-16-12(14-10(2)17-9-21-14)13-11(15)8-18-19(13)6-7-20-3/h8-9,12,16H,4-7H2,1-3H3
InChIKeyIKJVVGKEJREYIX-UHFFFAOYSA-N
MW328.87 g/mol
LogP3.04
Rot. Bonds8

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

N-[[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-(4-methyl-1,3-thiazol-5-yl)methyl]propan-1-amine (PubChem CID 105190004) has the molecular formula C14H21ClN4OS and a molecular weight of 328.87 g/mol. Its IUPAC name is N-[[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-(4-methyl-1,3-thiazol-5-yl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-(4-methyl-1,3-thiazol-5-yl)methyl]propan-1-amine
PubChem CID105190004
Molecular FormulaC14H21ClN4OS
Molecular Weight328.87 g/mol
Exact Mass328.11
IUPAC NameN-[[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-(4-methyl-1,3-thiazol-5-yl)methyl]propan-1-amine
SMILESCCCNC(c1scnc1C)c1c(Cl)cnn1CCOC
InChIInChI=1S/C14H21ClN4OS/c1-4-5-16-12(14-10(2)17-9-21-14)13-11(15)8-18-19(13)6-7-20-3/h8-9,12,16H,4-7H2,1-3H3
InChIKeyIKJVVGKEJREYIX-UHFFFAOYSA-N
XLogP3.04
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.87
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-(4-chloro-1-propylpyrazol-5-yl)-4-methoxy-N-propylbutan-1-amine
CID 114653419
N-[(4-chloro-1-propylpyrazol-5-yl)-(1,3-thiazol-5-yl)methyl]propan-1-amine
CID 114658631
N-[[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-(1-methylcyclopentyl)methyl]propan-1-amine
CID 105054630
N-[(4-chloro-1-propylpyrazol-5-yl)-(4-methoxythiophen-2-yl)methyl]propan-1-amine
CID 105042627
1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]butylhydrazine
CID 105202075
N-[[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-(1,2,5-thiadiazol-3-yl)methyl]ethanamine
CID 105190037
N-[[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-(furan-3-yl)methyl]ethanamine
CID 114652418
[(4-chloro-1-propan-2-ylpyrazol-5-yl)-(4-methyl-1,3-thiazol-5-yl)methyl]hydrazine
CID 105336779
1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-N-ethylheptan-1-amine
CID 105054478
N-[[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-(5-methyloxolan-2-yl)methyl]propan-1-amine
CID 105054576
4-methoxy-1-(4-methyl-1,3-thiazol-5-yl)-N-propylbutan-1-amine
CID 105190197
N-[(4-chloro-1-propan-2-ylpyrazol-5-yl)-(3-methoxythiophen-2-yl)methyl]propan-1-amine
CID 105041706

Frequently Asked Questions

What is the IUPAC name of N-[[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-(4-methyl-1,3-thiazol-5-yl)methyl]propan-1-amine?
The IUPAC name of N-[[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-(4-methyl-1,3-thiazol-5-yl)methyl]propan-1-amine (CID 105190004) is N-[[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-(4-methyl-1,3-thiazol-5-yl)methyl]propan-1-amine.
What is the SMILES notation for N-[[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-(4-methyl-1,3-thiazol-5-yl)methyl]propan-1-amine?
The canonical SMILES for N-[[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-(4-methyl-1,3-thiazol-5-yl)methyl]propan-1-amine is CCCNC(c1scnc1C)c1c(Cl)cnn1CCOC.
What is the InChIKey of N-[[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-(4-methyl-1,3-thiazol-5-yl)methyl]propan-1-amine?
The InChIKey is IKJVVGKEJREYIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN4OS/c1-4-5-16-12(14-10(2)17-9-21-14)13-11(15)8-18-19(13)6-7-20-3/h8-9,12,16H,4-7H2,1-3H3.
What are the key properties of N-[[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-(4-methyl-1,3-thiazol-5-yl)methyl]propan-1-amine?
N-[[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-(4-methyl-1,3-thiazol-5-yl)methyl]propan-1-amine has a molecular weight of 328.87 g/mol, XLogP of 3.04, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-(4-methyl-1,3-thiazol-5-yl)methyl]propan-1-amine is sourced from PubChem (CID 105190004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).