N-[(4,5-dimethyl-1H-pyrazol-3-yl)methyl]-4-ethyl-1,3-thiazol-2-amine

C11H16N4S — CID 136575157

IUPACN-[(4,5-dimethyl-1H-pyrazol-3-yl)methyl]-4-ethyl-1,3-thiazol-2-amine
SMILESCCc1csc(NCc2n[nH]c(C)c2C)n1
InChIInChI=1S/C11H16N4S/c1-4-9-6-16-11(13-9)12-5-10-7(2)8(3)14-15-10/h6H,4-5H2,1-3H3,(H,12,13)(H,14,15)
InChIKeyNRRXINJWBWZESS-UHFFFAOYSA-N
MW236.34 g/mol
LogP2.66
Rot. Bonds4

About N-[(4,5-dimethyl-1H-pyrazol-3-yl)methyl]-4-ethyl-1,3-thiazol-2-amine

N-[(4,5-dimethyl-1H-pyrazol-3-yl)methyl]-4-ethyl-1,3-thiazol-2-amine (PubChem CID 136575157) has the molecular formula C11H16N4S and a molecular weight of 236.34 g/mol. Its IUPAC name is N-[(4,5-dimethyl-1H-pyrazol-3-yl)methyl]-4-ethyl-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-[(4,5-dimethyl-1H-pyrazol-3-yl)methyl]-4-ethyl-1,3-thiazol-2-amine
PubChem CID136575157
Molecular FormulaC11H16N4S
Molecular Weight236.34 g/mol
Exact Mass236.11
IUPAC NameN-[(4,5-dimethyl-1H-pyrazol-3-yl)methyl]-4-ethyl-1,3-thiazol-2-amine
SMILESCCc1csc(NCc2n[nH]c(C)c2C)n1
InChIInChI=1S/C11H16N4S/c1-4-9-6-16-11(13-9)12-5-10-7(2)8(3)14-15-10/h6H,4-5H2,1-3H3,(H,12,13)(H,14,15)
InChIKeyNRRXINJWBWZESS-UHFFFAOYSA-N
XLogP2.66
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.34
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(4,5-dimethyl-1H-pyrazol-3-yl)methyl]-4-ethyl-1,3-thiazol-2-amine?
The IUPAC name of N-[(4,5-dimethyl-1H-pyrazol-3-yl)methyl]-4-ethyl-1,3-thiazol-2-amine (CID 136575157) is N-[(4,5-dimethyl-1H-pyrazol-3-yl)methyl]-4-ethyl-1,3-thiazol-2-amine.
What is the SMILES notation for N-[(4,5-dimethyl-1H-pyrazol-3-yl)methyl]-4-ethyl-1,3-thiazol-2-amine?
The canonical SMILES for N-[(4,5-dimethyl-1H-pyrazol-3-yl)methyl]-4-ethyl-1,3-thiazol-2-amine is CCc1csc(NCc2n[nH]c(C)c2C)n1.
What is the InChIKey of N-[(4,5-dimethyl-1H-pyrazol-3-yl)methyl]-4-ethyl-1,3-thiazol-2-amine?
The InChIKey is NRRXINJWBWZESS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4S/c1-4-9-6-16-11(13-9)12-5-10-7(2)8(3)14-15-10/h6H,4-5H2,1-3H3,(H,12,13)(H,14,15).
What are the key properties of N-[(4,5-dimethyl-1H-pyrazol-3-yl)methyl]-4-ethyl-1,3-thiazol-2-amine?
N-[(4,5-dimethyl-1H-pyrazol-3-yl)methyl]-4-ethyl-1,3-thiazol-2-amine has a molecular weight of 236.34 g/mol, XLogP of 2.66, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4,5-dimethyl-1H-pyrazol-3-yl)methyl]-4-ethyl-1,3-thiazol-2-amine is sourced from PubChem (CID 136575157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).