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

C12H18N4S — CID 78921673

IUPAC1-(2,4-dimethyl-1,3-thiazol-5-yl)-N-[(1-methylpyrazol-3-yl)methyl]ethanamine
SMILESCc1nc(C)c(C(C)NCc2ccn(C)n2)s1
InChIInChI=1S/C12H18N4S/c1-8(12-9(2)14-10(3)17-12)13-7-11-5-6-16(4)15-11/h5-6,8,13H,7H2,1-4H3
InChIKeyDPZDPSTYXBXLFV-UHFFFAOYSA-N
MW250.37 g/mol
LogP2.34
Rot. Bonds4

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

1-(2,4-dimethyl-1,3-thiazol-5-yl)-N-[(1-methylpyrazol-3-yl)methyl]ethanamine (PubChem CID 78921673) has the molecular formula C12H18N4S and a molecular weight of 250.37 g/mol. Its IUPAC name is 1-(2,4-dimethyl-1,3-thiazol-5-yl)-N-[(1-methylpyrazol-3-yl)methyl]ethanamine.

Molecular Properties

Compound Name1-(2,4-dimethyl-1,3-thiazol-5-yl)-N-[(1-methylpyrazol-3-yl)methyl]ethanamine
PubChem CID78921673
Molecular FormulaC12H18N4S
Molecular Weight250.37 g/mol
Exact Mass250.13
IUPAC Name1-(2,4-dimethyl-1,3-thiazol-5-yl)-N-[(1-methylpyrazol-3-yl)methyl]ethanamine
SMILESCc1nc(C)c(C(C)NCc2ccn(C)n2)s1
InChIInChI=1S/C12H18N4S/c1-8(12-9(2)14-10(3)17-12)13-7-11-5-6-16(4)15-11/h5-6,8,13H,7H2,1-4H3
InChIKeyDPZDPSTYXBXLFV-UHFFFAOYSA-N
XLogP2.34
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.37
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(1-methylpyrazol-3-yl)methyl]-1-(4-methyl-1,3-thiazol-5-yl)ethanamine
CID 80528686
1-(2,4-dimethyl-1,3-thiazol-5-yl)-N-(pyridin-4-ylmethyl)ethanamine
CID 61060970
1-(2,4-dimethyl-1,3-thiazol-5-yl)-N-[(4-propan-2-ylphenyl)methyl]ethanamine
CID 61060387
3-[(1-methylpyrazol-3-yl)methylamino]butan-2-ol
CID 82882501
N-[(1-methylpyrazol-3-yl)methyl]-1-naphthalen-2-ylethanamine
CID 78921020
1-(1-benzothiophen-2-yl)-N-[(1-methylpyrazol-3-yl)methyl]ethanamine
CID 115617554
3-methyl-N-[(1-methylpyrazol-3-yl)methyl]butan-2-amine
CID 78920945
1-(2,4-dimethyl-1,3-thiazol-5-yl)-N-[(5-methylfuran-2-yl)methyl]ethanamine
CID 61060969
(1S)-1-(4-methoxyphenyl)-N-[(1-methylpyrazol-3-yl)methyl]ethanamine
CID 82867137
N-[(2-bromophenyl)methyl]-1-(2,4-dimethyl-1,3-thiazol-5-yl)ethanamine
CID 61059932
4-[[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]methyl]-N,N-dimethylaniline
CID 61061113
4-[[[(1S)-1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]amino]methyl]-N,N,1,3-tetramethylpyrazol-5-amine
CID 94824212

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dimethyl-1,3-thiazol-5-yl)-N-[(1-methylpyrazol-3-yl)methyl]ethanamine?
The IUPAC name of 1-(2,4-dimethyl-1,3-thiazol-5-yl)-N-[(1-methylpyrazol-3-yl)methyl]ethanamine (CID 78921673) is 1-(2,4-dimethyl-1,3-thiazol-5-yl)-N-[(1-methylpyrazol-3-yl)methyl]ethanamine.
What is the SMILES notation for 1-(2,4-dimethyl-1,3-thiazol-5-yl)-N-[(1-methylpyrazol-3-yl)methyl]ethanamine?
The canonical SMILES for 1-(2,4-dimethyl-1,3-thiazol-5-yl)-N-[(1-methylpyrazol-3-yl)methyl]ethanamine is Cc1nc(C)c(C(C)NCc2ccn(C)n2)s1.
What is the InChIKey of 1-(2,4-dimethyl-1,3-thiazol-5-yl)-N-[(1-methylpyrazol-3-yl)methyl]ethanamine?
The InChIKey is DPZDPSTYXBXLFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4S/c1-8(12-9(2)14-10(3)17-12)13-7-11-5-6-16(4)15-11/h5-6,8,13H,7H2,1-4H3.
What are the key properties of 1-(2,4-dimethyl-1,3-thiazol-5-yl)-N-[(1-methylpyrazol-3-yl)methyl]ethanamine?
1-(2,4-dimethyl-1,3-thiazol-5-yl)-N-[(1-methylpyrazol-3-yl)methyl]ethanamine has a molecular weight of 250.37 g/mol, XLogP of 2.34, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dimethyl-1,3-thiazol-5-yl)-N-[(1-methylpyrazol-3-yl)methyl]ethanamine is sourced from PubChem (CID 78921673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).