N-(3-tert-butyl-1-ethylpyrazol-5-yl)-4-[6-(4-methylimidazol-1-yl)-3-pyridinyl]-1,3-thiazol-2-amine

C21H25N7S — CID 56592635

IUPACN-(3-tert-butyl-1-ethylpyrazol-5-yl)-4-[6-(4-methylimidazol-1-yl)-3-pyridinyl]-1,3-thiazol-2-amine
SMILESCCn1nc(C(C)(C)C)cc1Nc1nc(-c2ccc(-n3cnc(C)c3)nc2)cs1
InChIInChI=1S/C21H25N7S/c1-6-28-19(9-17(26-28)21(3,4)5)25-20-24-16(12-29-20)15-7-8-18(22-10-15)27-11-14(2)23-13-27/h7-13H,6H2,1-5H3,(H,24,25)
InChIKeyVMOGJDIGPKOQIF-UHFFFAOYSA-N
MW407.55 g/mol
LogP4.96
Rot. Bonds5

About N-(3-tert-butyl-1-ethylpyrazol-5-yl)-4-[6-(4-methylimidazol-1-yl)-3-pyridinyl]-1,3-thiazol-2-amine

N-(3-tert-butyl-1-ethylpyrazol-5-yl)-4-[6-(4-methylimidazol-1-yl)-3-pyridinyl]-1,3-thiazol-2-amine (PubChem CID 56592635) has the molecular formula C21H25N7S and a molecular weight of 407.55 g/mol. Its IUPAC name is N-(3-tert-butyl-1-ethylpyrazol-5-yl)-4-[6-(4-methylimidazol-1-yl)-3-pyridinyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-(3-tert-butyl-1-ethylpyrazol-5-yl)-4-[6-(4-methylimidazol-1-yl)-3-pyridinyl]-1,3-thiazol-2-amine
PubChem CID56592635
Molecular FormulaC21H25N7S
Molecular Weight407.55 g/mol
Exact Mass407.19
IUPAC NameN-(3-tert-butyl-1-ethylpyrazol-5-yl)-4-[6-(4-methylimidazol-1-yl)-3-pyridinyl]-1,3-thiazol-2-amine
SMILESCCn1nc(C(C)(C)C)cc1Nc1nc(-c2ccc(-n3cnc(C)c3)nc2)cs1
InChIInChI=1S/C21H25N7S/c1-6-28-19(9-17(26-28)21(3,4)5)25-20-24-16(12-29-20)15-7-8-18(22-10-15)27-11-14(2)23-13-27/h7-13H,6H2,1-5H3,(H,24,25)
InChIKeyVMOGJDIGPKOQIF-UHFFFAOYSA-N
XLogP4.96
TPSA73.45 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.55
LogP ≤ 54.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-(3-tert-butyl-1-ethylpyrazol-5-yl)-4-[6-(4-methylimidazol-1-yl)-3-pyridinyl]-1,3-thiazol-2-amine?
The IUPAC name of N-(3-tert-butyl-1-ethylpyrazol-5-yl)-4-[6-(4-methylimidazol-1-yl)-3-pyridinyl]-1,3-thiazol-2-amine (CID 56592635) is N-(3-tert-butyl-1-ethylpyrazol-5-yl)-4-[6-(4-methylimidazol-1-yl)-3-pyridinyl]-1,3-thiazol-2-amine.
What is the SMILES notation for N-(3-tert-butyl-1-ethylpyrazol-5-yl)-4-[6-(4-methylimidazol-1-yl)-3-pyridinyl]-1,3-thiazol-2-amine?
The canonical SMILES for N-(3-tert-butyl-1-ethylpyrazol-5-yl)-4-[6-(4-methylimidazol-1-yl)-3-pyridinyl]-1,3-thiazol-2-amine is CCn1nc(C(C)(C)C)cc1Nc1nc(-c2ccc(-n3cnc(C)c3)nc2)cs1.
What is the InChIKey of N-(3-tert-butyl-1-ethylpyrazol-5-yl)-4-[6-(4-methylimidazol-1-yl)-3-pyridinyl]-1,3-thiazol-2-amine?
The InChIKey is VMOGJDIGPKOQIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N7S/c1-6-28-19(9-17(26-28)21(3,4)5)25-20-24-16(12-29-20)15-7-8-18(22-10-15)27-11-14(2)23-13-27/h7-13H,6H2,1-5H3,(H,24,25).
What are the key properties of N-(3-tert-butyl-1-ethylpyrazol-5-yl)-4-[6-(4-methylimidazol-1-yl)-3-pyridinyl]-1,3-thiazol-2-amine?
N-(3-tert-butyl-1-ethylpyrazol-5-yl)-4-[6-(4-methylimidazol-1-yl)-3-pyridinyl]-1,3-thiazol-2-amine has a molecular weight of 407.55 g/mol, XLogP of 4.96, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-tert-butyl-1-ethylpyrazol-5-yl)-4-[6-(4-methylimidazol-1-yl)-3-pyridinyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 56592635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).