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

C13H20N4S — CID 103570199

IUPACN-[(1-ethylpyrazol-4-yl)-(4-methyl-1,3-thiazol-2-yl)methyl]propan-2-amine
SMILESCCn1cc(C(NC(C)C)c2nc(C)cs2)cn1
InChIInChI=1S/C13H20N4S/c1-5-17-7-11(6-14-17)12(15-9(2)3)13-16-10(4)8-18-13/h6-9,12,15H,5H2,1-4H3
InChIKeyKZNIYUPMWHCFIG-UHFFFAOYSA-N
MW264.40 g/mol
LogP2.76
Rot. Bonds5

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

N-[(1-ethylpyrazol-4-yl)-(4-methyl-1,3-thiazol-2-yl)methyl]propan-2-amine (PubChem CID 103570199) has the molecular formula C13H20N4S and a molecular weight of 264.40 g/mol. Its IUPAC name is N-[(1-ethylpyrazol-4-yl)-(4-methyl-1,3-thiazol-2-yl)methyl]propan-2-amine.

Molecular Properties

Compound NameN-[(1-ethylpyrazol-4-yl)-(4-methyl-1,3-thiazol-2-yl)methyl]propan-2-amine
PubChem CID103570199
Molecular FormulaC13H20N4S
Molecular Weight264.40 g/mol
Exact Mass264.14
IUPAC NameN-[(1-ethylpyrazol-4-yl)-(4-methyl-1,3-thiazol-2-yl)methyl]propan-2-amine
SMILESCCn1cc(C(NC(C)C)c2nc(C)cs2)cn1
InChIInChI=1S/C13H20N4S/c1-5-17-7-11(6-14-17)12(15-9(2)3)13-16-10(4)8-18-13/h6-9,12,15H,5H2,1-4H3
InChIKeyKZNIYUPMWHCFIG-UHFFFAOYSA-N
XLogP2.76
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.40
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(1-ethylpyrazol-4-yl)-1-(4-methyl-1,3-thiazol-2-yl)ethanol
CID 104769635
N-[(4-fluorophenyl)-(4-methyl-1,3-thiazol-2-yl)methyl]propan-2-amine
CID 61335982
1-ethyl-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]pyrazole-4-carboxamide
CID 45179322
N-[(4,5-dimethyl-1,3-thiazol-2-yl)-(1-propylpyrazol-4-yl)methyl]propan-2-amine
CID 103572508
N-[(6-methoxy-3-pyridinyl)-(4-methyl-1,3-thiazol-2-yl)methyl]propan-2-amine
CID 114937738
N-[(3-fluorophenyl)-(4-methyl-1,3-thiazol-2-yl)methyl]propan-2-amine
CID 61333244
N-[bis(4-methyl-1,3-thiazol-2-yl)methyl]ethanamine
CID 104771044
(1-ethylpyrazol-4-yl)-(4-propan-2-yl-1,3-thiazol-2-yl)methanamine
CID 103570173
N-[(3-chloro-4-methylthiophen-2-yl)-(1-ethylpyrazol-4-yl)methyl]propan-1-amine
CID 103405377
N-[(1-ethylpyrazol-4-yl)-(3-methylthiophen-2-yl)methyl]propan-1-amine
CID 115815713
1-(4-tert-butyl-1,3-thiazol-2-yl)-N-methyl-1-(1-propylpyrazol-4-yl)methanamine
CID 103572490
N-[1-(4-methyl-1,3-thiazol-2-yl)propyl]butan-2-amine
CID 115717784

Frequently Asked Questions

What is the IUPAC name of N-[(1-ethylpyrazol-4-yl)-(4-methyl-1,3-thiazol-2-yl)methyl]propan-2-amine?
The IUPAC name of N-[(1-ethylpyrazol-4-yl)-(4-methyl-1,3-thiazol-2-yl)methyl]propan-2-amine (CID 103570199) is N-[(1-ethylpyrazol-4-yl)-(4-methyl-1,3-thiazol-2-yl)methyl]propan-2-amine.
What is the SMILES notation for N-[(1-ethylpyrazol-4-yl)-(4-methyl-1,3-thiazol-2-yl)methyl]propan-2-amine?
The canonical SMILES for N-[(1-ethylpyrazol-4-yl)-(4-methyl-1,3-thiazol-2-yl)methyl]propan-2-amine is CCn1cc(C(NC(C)C)c2nc(C)cs2)cn1.
What is the InChIKey of N-[(1-ethylpyrazol-4-yl)-(4-methyl-1,3-thiazol-2-yl)methyl]propan-2-amine?
The InChIKey is KZNIYUPMWHCFIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4S/c1-5-17-7-11(6-14-17)12(15-9(2)3)13-16-10(4)8-18-13/h6-9,12,15H,5H2,1-4H3.
What are the key properties of N-[(1-ethylpyrazol-4-yl)-(4-methyl-1,3-thiazol-2-yl)methyl]propan-2-amine?
N-[(1-ethylpyrazol-4-yl)-(4-methyl-1,3-thiazol-2-yl)methyl]propan-2-amine has a molecular weight of 264.40 g/mol, XLogP of 2.76, 5 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)-(4-methyl-1,3-thiazol-2-yl)methyl]propan-2-amine is sourced from PubChem (CID 103570199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).