N-[(4-methoxy-1-propylpyrazol-5-yl)-(1,3-thiazol-4-yl)methyl]propan-1-amine

C14H22N4OS — CID 114658755

IUPACN-[(4-methoxy-1-propylpyrazol-5-yl)-(1,3-thiazol-4-yl)methyl]propan-1-amine
SMILESCCCNC(c1cscn1)c1c(OC)cnn1CCC
InChIInChI=1S/C14H22N4OS/c1-4-6-15-13(11-9-20-10-16-11)14-12(19-3)8-17-18(14)7-5-2/h8-10,13,15H,4-7H2,1-3H3
InChIKeyRVURIOKDVRKHMO-UHFFFAOYSA-N
MW294.42 g/mol
LogP2.85
Rot. Bonds8

About N-[(4-methoxy-1-propylpyrazol-5-yl)-(1,3-thiazol-4-yl)methyl]propan-1-amine

N-[(4-methoxy-1-propylpyrazol-5-yl)-(1,3-thiazol-4-yl)methyl]propan-1-amine (PubChem CID 114658755) has the molecular formula C14H22N4OS and a molecular weight of 294.42 g/mol. Its IUPAC name is N-[(4-methoxy-1-propylpyrazol-5-yl)-(1,3-thiazol-4-yl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(4-methoxy-1-propylpyrazol-5-yl)-(1,3-thiazol-4-yl)methyl]propan-1-amine
PubChem CID114658755
Molecular FormulaC14H22N4OS
Molecular Weight294.42 g/mol
Exact Mass294.15
IUPAC NameN-[(4-methoxy-1-propylpyrazol-5-yl)-(1,3-thiazol-4-yl)methyl]propan-1-amine
SMILESCCCNC(c1cscn1)c1c(OC)cnn1CCC
InChIInChI=1S/C14H22N4OS/c1-4-6-15-13(11-9-20-10-16-11)14-12(19-3)8-17-18(14)7-5-2/h8-10,13,15H,4-7H2,1-3H3
InChIKeyRVURIOKDVRKHMO-UHFFFAOYSA-N
XLogP2.85
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.42
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[5-[ethylamino(1,3-thiazol-4-yl)methyl]-4-methoxypyrazol-1-yl]-N,N-dimethylethanamine
CID 114658733
N-[(4-methoxy-1-propylpyrazol-5-yl)-(2-methyl-1,3-thiazol-4-yl)methyl]ethanamine
CID 105187101
N-[(4-methoxy-1-propylpyrazol-5-yl)-pyrimidin-4-ylmethyl]ethanamine
CID 114652303
1-(4-methoxy-1-propylpyrazol-5-yl)ethylhydrazine
CID 105201289
1-(4-methoxy-1-propylpyrazol-5-yl)-N-methyl-1-(1,2,5-thiadiazol-3-yl)methanamine
CID 105187073
[(4-methoxy-1-propylpyrazol-5-yl)-(1,2,5-thiadiazol-3-yl)methyl]hydrazine
CID 105339799
[(4-methoxy-1-propylpyrazol-5-yl)-(2-methylpyrimidin-4-yl)methyl]hydrazine
CID 105260511
[1-(4-methoxy-1-propylpyrazol-5-yl)-2,3-dimethylbutyl]hydrazine
CID 105339861
N-ethyl-2-methoxy-1-(4-methoxy-1-propylpyrazol-5-yl)propan-1-amine
CID 114657709
3-(4-methoxy-1-propylpyrazol-5-yl)-N-propan-2-ylbutan-1-amine
CID 114666746
[1-(4-methoxy-1-propylpyrazol-5-yl)-3-methyl-2-propan-2-ylbutyl]hydrazine
CID 114282170
N-[(1-ethyl-4-methoxypyrazol-5-yl)-(4-methylphenyl)methyl]propan-1-amine
CID 114646984

Frequently Asked Questions

What is the IUPAC name of N-[(4-methoxy-1-propylpyrazol-5-yl)-(1,3-thiazol-4-yl)methyl]propan-1-amine?
The IUPAC name of N-[(4-methoxy-1-propylpyrazol-5-yl)-(1,3-thiazol-4-yl)methyl]propan-1-amine (CID 114658755) is N-[(4-methoxy-1-propylpyrazol-5-yl)-(1,3-thiazol-4-yl)methyl]propan-1-amine.
What is the SMILES notation for N-[(4-methoxy-1-propylpyrazol-5-yl)-(1,3-thiazol-4-yl)methyl]propan-1-amine?
The canonical SMILES for N-[(4-methoxy-1-propylpyrazol-5-yl)-(1,3-thiazol-4-yl)methyl]propan-1-amine is CCCNC(c1cscn1)c1c(OC)cnn1CCC.
What is the InChIKey of N-[(4-methoxy-1-propylpyrazol-5-yl)-(1,3-thiazol-4-yl)methyl]propan-1-amine?
The InChIKey is RVURIOKDVRKHMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4OS/c1-4-6-15-13(11-9-20-10-16-11)14-12(19-3)8-17-18(14)7-5-2/h8-10,13,15H,4-7H2,1-3H3.
What are the key properties of N-[(4-methoxy-1-propylpyrazol-5-yl)-(1,3-thiazol-4-yl)methyl]propan-1-amine?
N-[(4-methoxy-1-propylpyrazol-5-yl)-(1,3-thiazol-4-yl)methyl]propan-1-amine has a molecular weight of 294.42 g/mol, XLogP of 2.85, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methoxy-1-propylpyrazol-5-yl)-(1,3-thiazol-4-yl)methyl]propan-1-amine is sourced from PubChem (CID 114658755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).