N-[(1-ethylpyrazol-4-yl)methyl]-5-propyl-1,3-thiazol-2-amine

C12H18N4S — CID 75505668

IUPACN-[(1-ethylpyrazol-4-yl)methyl]-5-propyl-1,3-thiazol-2-amine
SMILESCCCc1cnc(NCc2cnn(CC)c2)s1
InChIInChI=1S/C12H18N4S/c1-3-5-11-8-14-12(17-11)13-6-10-7-15-16(4-2)9-10/h7-9H,3-6H2,1-2H3,(H,13,14)
InChIKeyTUPXWOQBCSRPAK-UHFFFAOYSA-N
MW250.37 g/mol
LogP2.92
Rot. Bonds6

About N-[(1-ethylpyrazol-4-yl)methyl]-5-propyl-1,3-thiazol-2-amine

N-[(1-ethylpyrazol-4-yl)methyl]-5-propyl-1,3-thiazol-2-amine (PubChem CID 75505668) has the molecular formula C12H18N4S and a molecular weight of 250.37 g/mol. Its IUPAC name is N-[(1-ethylpyrazol-4-yl)methyl]-5-propyl-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-[(1-ethylpyrazol-4-yl)methyl]-5-propyl-1,3-thiazol-2-amine
PubChem CID75505668
Molecular FormulaC12H18N4S
Molecular Weight250.37 g/mol
Exact Mass250.13
IUPAC NameN-[(1-ethylpyrazol-4-yl)methyl]-5-propyl-1,3-thiazol-2-amine
SMILESCCCc1cnc(NCc2cnn(CC)c2)s1
InChIInChI=1S/C12H18N4S/c1-3-5-11-8-14-12(17-11)13-6-10-7-15-16(4-2)9-10/h7-9H,3-6H2,1-2H3,(H,13,14)
InChIKeyTUPXWOQBCSRPAK-UHFFFAOYSA-N
XLogP2.92
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.37
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(1-ethylpyrazol-4-yl)methyl]-4-propylaniline
CID 62127247
N-[(2-methyl-1,3-thiazol-5-yl)methyl]-5-propyl-1,3-thiazol-2-amine
CID 104599843
5-propyl-N-(thiophen-2-ylmethyl)-1,3-thiazol-2-amine
CID 104599839
1-ethyl-N-[(1-propylpyrazol-4-yl)methyl]pyrazol-4-amine;hydrochloride
CID 126964986
1-(1-ethylpyrazol-4-yl)-N-[(1-propylpyrazol-4-yl)methyl]methanamine
CID 122166789
N-[(1-ethylpyrazol-4-yl)methyl]-5-methyl-1,2-oxazol-3-amine
CID 115914400
3,4-diethoxy-N-[(1-ethylpyrazol-4-yl)methyl]aniline
CID 62126887
N-(imidazo[1,2-a]pyrazin-3-ylmethyl)-5-propyl-1,3-thiazol-2-amine
CID 86790671
4-bromo-N-[(1-ethylpyrazol-4-yl)methyl]aniline
CID 62125641
5-tert-butyl-N-[(1-propylpyrazol-4-yl)methyl]-1,3,4-thiadiazol-2-amine
CID 75483596
5-methyl-N-[(1-propan-2-ylpyrazol-4-yl)methyl]-1,3-thiazol-2-amine
CID 104599634
5-ethyl-N-[(1-methylpyrrol-3-yl)methyl]-1,3-thiazol-2-amine
CID 104599771

Frequently Asked Questions

What is the IUPAC name of N-[(1-ethylpyrazol-4-yl)methyl]-5-propyl-1,3-thiazol-2-amine?
The IUPAC name of N-[(1-ethylpyrazol-4-yl)methyl]-5-propyl-1,3-thiazol-2-amine (CID 75505668) is N-[(1-ethylpyrazol-4-yl)methyl]-5-propyl-1,3-thiazol-2-amine.
What is the SMILES notation for N-[(1-ethylpyrazol-4-yl)methyl]-5-propyl-1,3-thiazol-2-amine?
The canonical SMILES for N-[(1-ethylpyrazol-4-yl)methyl]-5-propyl-1,3-thiazol-2-amine is CCCc1cnc(NCc2cnn(CC)c2)s1.
What is the InChIKey of N-[(1-ethylpyrazol-4-yl)methyl]-5-propyl-1,3-thiazol-2-amine?
The InChIKey is TUPXWOQBCSRPAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4S/c1-3-5-11-8-14-12(17-11)13-6-10-7-15-16(4-2)9-10/h7-9H,3-6H2,1-2H3,(H,13,14).
What are the key properties of N-[(1-ethylpyrazol-4-yl)methyl]-5-propyl-1,3-thiazol-2-amine?
N-[(1-ethylpyrazol-4-yl)methyl]-5-propyl-1,3-thiazol-2-amine has a molecular weight of 250.37 g/mol, XLogP of 2.92, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethylpyrazol-4-yl)methyl]-5-propyl-1,3-thiazol-2-amine is sourced from PubChem (CID 75505668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).