2-(1-aminoethyl)-5-methyl-N-[1-methyl-3-(3-methylbutan-2-yloxy)pyrazol-4-yl]-1,3-thiazole-4-carboxamide

C16H25N5O2S — CID 166286676

IUPAC2-(1-aminoethyl)-5-methyl-N-[1-methyl-3-(3-methylbutan-2-yloxy)pyrazol-4-yl]-1,3-thiazole-4-carboxamide
SMILESCc1sc(C(C)N)nc1C(=O)Nc1cn(C)nc1OC(C)C(C)C
InChIInChI=1S/C16H25N5O2S/c1-8(2)10(4)23-15-12(7-21(6)20-15)18-14(22)13-11(5)24-16(19-13)9(3)17/h7-10H,17H2,1-6H3,(H,18,22)
InChIKeyJWHZABUUUZIODO-UHFFFAOYSA-N
MW351.48 g/mol
LogP2.88
Rot. Bonds6

About 2-(1-aminoethyl)-5-methyl-N-[1-methyl-3-(3-methylbutan-2-yloxy)pyrazol-4-yl]-1,3-thiazole-4-carboxamide

2-(1-aminoethyl)-5-methyl-N-[1-methyl-3-(3-methylbutan-2-yloxy)pyrazol-4-yl]-1,3-thiazole-4-carboxamide (PubChem CID 166286676) has the molecular formula C16H25N5O2S and a molecular weight of 351.48 g/mol. Its IUPAC name is 2-(1-aminoethyl)-5-methyl-N-[1-methyl-3-(3-methylbutan-2-yloxy)pyrazol-4-yl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-(1-aminoethyl)-5-methyl-N-[1-methyl-3-(3-methylbutan-2-yloxy)pyrazol-4-yl]-1,3-thiazole-4-carboxamide
PubChem CID166286676
Molecular FormulaC16H25N5O2S
Molecular Weight351.48 g/mol
Exact Mass351.17
IUPAC Name2-(1-aminoethyl)-5-methyl-N-[1-methyl-3-(3-methylbutan-2-yloxy)pyrazol-4-yl]-1,3-thiazole-4-carboxamide
SMILESCc1sc(C(C)N)nc1C(=O)Nc1cn(C)nc1OC(C)C(C)C
InChIInChI=1S/C16H25N5O2S/c1-8(2)10(4)23-15-12(7-21(6)20-15)18-14(22)13-11(5)24-16(19-13)9(3)17/h7-10H,17H2,1-6H3,(H,18,22)
InChIKeyJWHZABUUUZIODO-UHFFFAOYSA-N
XLogP2.88
TPSA95.06 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.48
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(1-aminoethyl)-5-methyl-N-[1-methyl-3-(3-methylbutan-2-yloxy)pyrazol-4-yl]-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-(1-aminoethyl)-5-methyl-N-[1-methyl-3-(3-methylbutan-2-yloxy)pyrazol-4-yl]-1,3-thiazole-4-carboxamide (CID 166286676) is 2-(1-aminoethyl)-5-methyl-N-[1-methyl-3-(3-methylbutan-2-yloxy)pyrazol-4-yl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-(1-aminoethyl)-5-methyl-N-[1-methyl-3-(3-methylbutan-2-yloxy)pyrazol-4-yl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-(1-aminoethyl)-5-methyl-N-[1-methyl-3-(3-methylbutan-2-yloxy)pyrazol-4-yl]-1,3-thiazole-4-carboxamide is Cc1sc(C(C)N)nc1C(=O)Nc1cn(C)nc1OC(C)C(C)C.
What is the InChIKey of 2-(1-aminoethyl)-5-methyl-N-[1-methyl-3-(3-methylbutan-2-yloxy)pyrazol-4-yl]-1,3-thiazole-4-carboxamide?
The InChIKey is JWHZABUUUZIODO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N5O2S/c1-8(2)10(4)23-15-12(7-21(6)20-15)18-14(22)13-11(5)24-16(19-13)9(3)17/h7-10H,17H2,1-6H3,(H,18,22).
What are the key properties of 2-(1-aminoethyl)-5-methyl-N-[1-methyl-3-(3-methylbutan-2-yloxy)pyrazol-4-yl]-1,3-thiazole-4-carboxamide?
2-(1-aminoethyl)-5-methyl-N-[1-methyl-3-(3-methylbutan-2-yloxy)pyrazol-4-yl]-1,3-thiazole-4-carboxamide has a molecular weight of 351.48 g/mol, XLogP of 2.88, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-aminoethyl)-5-methyl-N-[1-methyl-3-(3-methylbutan-2-yloxy)pyrazol-4-yl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 166286676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).