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

C14H22N4S — CID 105171430

IUPACN-[1-(1,5-dimethylpyrazol-4-yl)-2-(4-methyl-1,3-thiazol-2-yl)ethyl]propan-1-amine
SMILESCCCNC(Cc1nc(C)cs1)c1cnn(C)c1C
InChIInChI=1S/C14H22N4S/c1-5-6-15-13(7-14-17-10(2)9-19-14)12-8-16-18(4)11(12)3/h8-9,13,15H,5-7H2,1-4H3
InChIKeySZRFTVCTZZQVMA-UHFFFAOYSA-N
MW278.42 g/mol
LogP2.78
Rot. Bonds6

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

N-[1-(1,5-dimethylpyrazol-4-yl)-2-(4-methyl-1,3-thiazol-2-yl)ethyl]propan-1-amine (PubChem CID 105171430) has the molecular formula C14H22N4S and a molecular weight of 278.42 g/mol. Its IUPAC name is N-[1-(1,5-dimethylpyrazol-4-yl)-2-(4-methyl-1,3-thiazol-2-yl)ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-(1,5-dimethylpyrazol-4-yl)-2-(4-methyl-1,3-thiazol-2-yl)ethyl]propan-1-amine
PubChem CID105171430
Molecular FormulaC14H22N4S
Molecular Weight278.42 g/mol
Exact Mass278.16
IUPAC NameN-[1-(1,5-dimethylpyrazol-4-yl)-2-(4-methyl-1,3-thiazol-2-yl)ethyl]propan-1-amine
SMILESCCCNC(Cc1nc(C)cs1)c1cnn(C)c1C
InChIInChI=1S/C14H22N4S/c1-5-6-15-13(7-14-17-10(2)9-19-14)12-8-16-18(4)11(12)3/h8-9,13,15H,5-7H2,1-4H3
InChIKeySZRFTVCTZZQVMA-UHFFFAOYSA-N
XLogP2.78
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.42
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(4-bromothiophen-2-yl)-1-(1,5-dimethylpyrazol-4-yl)ethyl]propan-1-amine
CID 105139141
N-[1-(2-ethylphenyl)-2-(4-methyl-1,3-thiazol-2-yl)ethyl]propan-1-amine
CID 105019191
N-[2-(4-chlorophenyl)-1-(1,5-dimethylpyrazol-4-yl)ethyl]propan-1-amine
CID 105085259
1-(1,5-dimethylpyrazol-4-yl)-3-ethyl-N-propylpentan-1-amine
CID 105176674
N-[1-(2-fluoro-4-methylphenyl)-2-(4-methyl-1,3-thiazol-2-yl)ethyl]propan-1-amine
CID 105019318
N-[2-(4-methyl-1,3-thiazol-2-yl)-1-thiophen-2-ylethyl]propan-1-amine
CID 62796371
N-[2-(4-methyl-1,3-thiazol-2-yl)-1-(2,4,6-trimethylphenyl)ethyl]propan-1-amine
CID 105019392
N-[2-(4-methyl-1,3-thiazol-2-yl)-1-pyridin-3-ylethyl]propan-1-amine
CID 62797242
N-[1-(4-methoxy-2-methylphenyl)-2-(4-methyl-1,3-thiazol-2-yl)ethyl]propan-1-amine
CID 65318369
N-[1-(2-bromo-3,4-difluorophenyl)-2-(4-methyl-1,3-thiazol-2-yl)ethyl]propan-1-amine
CID 107539423
3-methyl-1-(4-methyl-1,3-thiazol-2-yl)-N-propylbutan-2-amine
CID 62794828
N-[1-(1,5-dimethylpyrazol-4-yl)-2-(2-methoxyphenyl)ethyl]propan-1-amine
CID 105107339

Frequently Asked Questions

What is the IUPAC name of N-[1-(1,5-dimethylpyrazol-4-yl)-2-(4-methyl-1,3-thiazol-2-yl)ethyl]propan-1-amine?
The IUPAC name of N-[1-(1,5-dimethylpyrazol-4-yl)-2-(4-methyl-1,3-thiazol-2-yl)ethyl]propan-1-amine (CID 105171430) is N-[1-(1,5-dimethylpyrazol-4-yl)-2-(4-methyl-1,3-thiazol-2-yl)ethyl]propan-1-amine.
What is the SMILES notation for N-[1-(1,5-dimethylpyrazol-4-yl)-2-(4-methyl-1,3-thiazol-2-yl)ethyl]propan-1-amine?
The canonical SMILES for N-[1-(1,5-dimethylpyrazol-4-yl)-2-(4-methyl-1,3-thiazol-2-yl)ethyl]propan-1-amine is CCCNC(Cc1nc(C)cs1)c1cnn(C)c1C.
What is the InChIKey of N-[1-(1,5-dimethylpyrazol-4-yl)-2-(4-methyl-1,3-thiazol-2-yl)ethyl]propan-1-amine?
The InChIKey is SZRFTVCTZZQVMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4S/c1-5-6-15-13(7-14-17-10(2)9-19-14)12-8-16-18(4)11(12)3/h8-9,13,15H,5-7H2,1-4H3.
What are the key properties of N-[1-(1,5-dimethylpyrazol-4-yl)-2-(4-methyl-1,3-thiazol-2-yl)ethyl]propan-1-amine?
N-[1-(1,5-dimethylpyrazol-4-yl)-2-(4-methyl-1,3-thiazol-2-yl)ethyl]propan-1-amine has a molecular weight of 278.42 g/mol, XLogP of 2.78, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1,5-dimethylpyrazol-4-yl)-2-(4-methyl-1,3-thiazol-2-yl)ethyl]propan-1-amine is sourced from PubChem (CID 105171430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).