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

C11H16N4S — CID 112670751

IUPACN-[(1,3-dimethylpyrazol-4-yl)methyl]-4-ethyl-1,3-thiazol-2-amine
SMILESCCc1csc(NCc2cn(C)nc2C)n1
InChIInChI=1S/C11H16N4S/c1-4-10-7-16-11(13-10)12-5-9-6-15(3)14-8(9)2/h6-7H,4-5H2,1-3H3,(H,12,13)
InChIKeyOLBVFHVNASVBMN-UHFFFAOYSA-N
MW236.34 g/mol
LogP2.36
Rot. Bonds4

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

N-[(1,3-dimethylpyrazol-4-yl)methyl]-4-ethyl-1,3-thiazol-2-amine (PubChem CID 112670751) has the molecular formula C11H16N4S and a molecular weight of 236.34 g/mol. Its IUPAC name is N-[(1,3-dimethylpyrazol-4-yl)methyl]-4-ethyl-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-[(1,3-dimethylpyrazol-4-yl)methyl]-4-ethyl-1,3-thiazol-2-amine
PubChem CID112670751
Molecular FormulaC11H16N4S
Molecular Weight236.34 g/mol
Exact Mass236.11
IUPAC NameN-[(1,3-dimethylpyrazol-4-yl)methyl]-4-ethyl-1,3-thiazol-2-amine
SMILESCCc1csc(NCc2cn(C)nc2C)n1
InChIInChI=1S/C11H16N4S/c1-4-10-7-16-11(13-10)12-5-9-6-15(3)14-8(9)2/h6-7H,4-5H2,1-3H3,(H,12,13)
InChIKeyOLBVFHVNASVBMN-UHFFFAOYSA-N
XLogP2.36
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.34
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-[(3-ethyl-1-methylpyrazol-4-yl)methylamino]-1,3-thiazol-4-yl]acetic acid
CID 112672169
5-bromo-N-[(1,3-dimethylpyrazol-4-yl)methyl]-1,3,4-thiadiazol-2-amine
CID 112671804
4-ethyl-N-[(1-methylpyrazol-4-yl)methyl]-1,3-thiazol-2-amine
CID 62962265
3-tert-butyl-N-[(1,3-dimethylpyrazol-4-yl)methyl]-1,2,4-thiadiazol-5-amine
CID 112670593
N-[(1,3-dimethylpyrazol-4-yl)methyl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine
CID 104599696
4-ethyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,3-thiazol-2-amine
CID 62963186
4-N-[(1,3-dimethylpyrazol-4-yl)methyl]-6-N,2-diethylpyrimidine-4,6-diamine
CID 115991901
N-[(1,3-dimethylpyrazol-4-yl)methyl]-4,5-dihydro-1,3-thiazol-2-amine
CID 112671215
5-[(1,3-dimethylpyrazol-4-yl)methylamino]-1-methylpyridin-2-one
CID 83088804
N-[(1,3-dimethylpyrazol-4-yl)methyl]-2-ethyl-6-methylaniline
CID 83092684
2-[(1,3-dimethylpyrazol-4-yl)methylamino]-1,3-thiazole-5-carboxylic acid
CID 112672179
6-chloro-N-[(1,3-dimethylpyrazol-4-yl)methyl]-2-methylpyrimidin-4-amine
CID 112671792

Frequently Asked Questions

What is the IUPAC name of N-[(1,3-dimethylpyrazol-4-yl)methyl]-4-ethyl-1,3-thiazol-2-amine?
The IUPAC name of N-[(1,3-dimethylpyrazol-4-yl)methyl]-4-ethyl-1,3-thiazol-2-amine (CID 112670751) is N-[(1,3-dimethylpyrazol-4-yl)methyl]-4-ethyl-1,3-thiazol-2-amine.
What is the SMILES notation for N-[(1,3-dimethylpyrazol-4-yl)methyl]-4-ethyl-1,3-thiazol-2-amine?
The canonical SMILES for N-[(1,3-dimethylpyrazol-4-yl)methyl]-4-ethyl-1,3-thiazol-2-amine is CCc1csc(NCc2cn(C)nc2C)n1.
What is the InChIKey of N-[(1,3-dimethylpyrazol-4-yl)methyl]-4-ethyl-1,3-thiazol-2-amine?
The InChIKey is OLBVFHVNASVBMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4S/c1-4-10-7-16-11(13-10)12-5-9-6-15(3)14-8(9)2/h6-7H,4-5H2,1-3H3,(H,12,13).
What are the key properties of N-[(1,3-dimethylpyrazol-4-yl)methyl]-4-ethyl-1,3-thiazol-2-amine?
N-[(1,3-dimethylpyrazol-4-yl)methyl]-4-ethyl-1,3-thiazol-2-amine has a molecular weight of 236.34 g/mol, XLogP of 2.36, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1,3-dimethylpyrazol-4-yl)methyl]-4-ethyl-1,3-thiazol-2-amine is sourced from PubChem (CID 112670751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).