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

C11H15ClN4S — CID 115906881

IUPACN-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-1-(1,3-thiazol-2-yl)ethanamine
SMILESCc1nn(C)c(Cl)c1CNC(C)c1nccs1
InChIInChI=1S/C11H15ClN4S/c1-7-9(10(12)16(3)15-7)6-14-8(2)11-13-4-5-17-11/h4-5,8,14H,6H2,1-3H3
InChIKeyYVLVRBNZSDWBDN-UHFFFAOYSA-N
MW270.79 g/mol
LogP2.69
Rot. Bonds4

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

N-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-1-(1,3-thiazol-2-yl)ethanamine (PubChem CID 115906881) has the molecular formula C11H15ClN4S and a molecular weight of 270.79 g/mol. Its IUPAC name is N-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-1-(1,3-thiazol-2-yl)ethanamine.

Molecular Properties

Compound NameN-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-1-(1,3-thiazol-2-yl)ethanamine
PubChem CID115906881
Molecular FormulaC11H15ClN4S
Molecular Weight270.79 g/mol
Exact Mass270.07
IUPAC NameN-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-1-(1,3-thiazol-2-yl)ethanamine
SMILESCc1nn(C)c(Cl)c1CNC(C)c1nccs1
InChIInChI=1S/C11H15ClN4S/c1-7-9(10(12)16(3)15-7)6-14-8(2)11-13-4-5-17-11/h4-5,8,14H,6H2,1-3H3
InChIKeyYVLVRBNZSDWBDN-UHFFFAOYSA-N
XLogP2.69
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.79
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-(hydroxymethyl)-2-methyl-4-[[1-(1,3-thiazol-2-yl)ethylamino]methyl]pyridin-3-ol
CID 116686414
N-[2-(4-methylpiperazin-1-yl)ethyl]-1-(1,3-thiazol-2-yl)ethanamine
CID 64993645
1,3-dimethyl-N-[1-(1,3-thiazol-2-yl)ethyl]pyrazolo[5,4-d][1,3]thiazol-5-amine
CID 72877150
(1R)-N-(pyridin-4-ylmethyl)-1-(1,3-thiazol-2-yl)ethanamine
CID 95366218
N-[1-(1,3-thiazol-2-yl)ethyl]propan-1-amine
CID 46785149
N-[(3,4-dimethylphenyl)methyl]-1-(1,3-thiazol-2-yl)ethanamine
CID 63599165
N-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-4-methylhexan-2-amine
CID 115907864
N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-2-(1,3-thiazol-2-yl)propan-1-amine
CID 104588564
N-[(2,4-dichlorophenyl)methyl]-1-(1,3-thiazol-2-yl)ethanamine
CID 63598627
N-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-1-cyclobutylethanamine
CID 115908707
N-[(5-methyl-2-pyridinyl)methyl]-1-(1,3-thiazol-2-yl)ethanamine
CID 80709978
N-[(4-bromo-5-chlorothiophen-2-yl)methyl]-1-(1,3-thiazol-2-yl)ethanamine
CID 102835971

Frequently Asked Questions

What is the IUPAC name of N-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-1-(1,3-thiazol-2-yl)ethanamine?
The IUPAC name of N-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-1-(1,3-thiazol-2-yl)ethanamine (CID 115906881) is N-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-1-(1,3-thiazol-2-yl)ethanamine.
What is the SMILES notation for N-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-1-(1,3-thiazol-2-yl)ethanamine?
The canonical SMILES for N-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-1-(1,3-thiazol-2-yl)ethanamine is Cc1nn(C)c(Cl)c1CNC(C)c1nccs1.
What is the InChIKey of N-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-1-(1,3-thiazol-2-yl)ethanamine?
The InChIKey is YVLVRBNZSDWBDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN4S/c1-7-9(10(12)16(3)15-7)6-14-8(2)11-13-4-5-17-11/h4-5,8,14H,6H2,1-3H3.
What are the key properties of N-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-1-(1,3-thiazol-2-yl)ethanamine?
N-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-1-(1,3-thiazol-2-yl)ethanamine has a molecular weight of 270.79 g/mol, XLogP of 2.69, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-1-(1,3-thiazol-2-yl)ethanamine is sourced from PubChem (CID 115906881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).