5-[1-(ethylamino)ethyl]-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-1,3-thiazol-2-amine

C13H21N5S — CID 62754993

IUPAC5-[1-(ethylamino)ethyl]-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-1,3-thiazol-2-amine
SMILESCCNC(C)c1cnc(N(C)Cc2cnn(C)c2)s1
InChIInChI=1S/C13H21N5S/c1-5-14-10(2)12-7-15-13(19-12)17(3)8-11-6-16-18(4)9-11/h6-7,9-10,14H,5,8H2,1-4H3
InChIKeyABOJDPITZMJRRI-UHFFFAOYSA-N
MW279.41 g/mol
LogP2.18
Rot. Bonds6

About 5-[1-(ethylamino)ethyl]-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-1,3-thiazol-2-amine

5-[1-(ethylamino)ethyl]-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-1,3-thiazol-2-amine (PubChem CID 62754993) has the molecular formula C13H21N5S and a molecular weight of 279.41 g/mol. Its IUPAC name is 5-[1-(ethylamino)ethyl]-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-[1-(ethylamino)ethyl]-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-1,3-thiazol-2-amine
PubChem CID62754993
Molecular FormulaC13H21N5S
Molecular Weight279.41 g/mol
Exact Mass279.15
IUPAC Name5-[1-(ethylamino)ethyl]-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-1,3-thiazol-2-amine
SMILESCCNC(C)c1cnc(N(C)Cc2cnn(C)c2)s1
InChIInChI=1S/C13H21N5S/c1-5-14-10(2)12-7-15-13(19-12)17(3)8-11-6-16-18(4)9-11/h6-7,9-10,14H,5,8H2,1-4H3
InChIKeyABOJDPITZMJRRI-UHFFFAOYSA-N
XLogP2.18
TPSA45.98 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.41
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[1-(ethylamino)ethyl]-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-1,3-thiazol-2-amine?
The IUPAC name of 5-[1-(ethylamino)ethyl]-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-1,3-thiazol-2-amine (CID 62754993) is 5-[1-(ethylamino)ethyl]-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-1,3-thiazol-2-amine.
What is the SMILES notation for 5-[1-(ethylamino)ethyl]-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-1,3-thiazol-2-amine?
The canonical SMILES for 5-[1-(ethylamino)ethyl]-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-1,3-thiazol-2-amine is CCNC(C)c1cnc(N(C)Cc2cnn(C)c2)s1.
What is the InChIKey of 5-[1-(ethylamino)ethyl]-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-1,3-thiazol-2-amine?
The InChIKey is ABOJDPITZMJRRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N5S/c1-5-14-10(2)12-7-15-13(19-12)17(3)8-11-6-16-18(4)9-11/h6-7,9-10,14H,5,8H2,1-4H3.
What are the key properties of 5-[1-(ethylamino)ethyl]-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-1,3-thiazol-2-amine?
5-[1-(ethylamino)ethyl]-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-1,3-thiazol-2-amine has a molecular weight of 279.41 g/mol, XLogP of 2.18, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(ethylamino)ethyl]-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 62754993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).