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

C22H27N7OS — CID 56592445

IUPACN-(3-tert-butyl-1-ethylpyrazol-5-yl)-4-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-1,3-thiazol-2-amine
SMILESCCn1nc(C(C)(C)C)cc1Nc1nc(-c2ccc(-n3cnc(C)c3)c(OC)n2)cs1
InChIInChI=1S/C22H27N7OS/c1-7-29-19(10-18(27-29)22(3,4)5)26-21-25-16(12-31-21)15-8-9-17(20(24-15)30-6)28-11-14(2)23-13-28/h8-13H,7H2,1-6H3,(H,25,26)
InChIKeyVKWJKRQZZMETTI-UHFFFAOYSA-N
MW437.57 g/mol
LogP4.97
Rot. Bonds6

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

N-(3-tert-butyl-1-ethylpyrazol-5-yl)-4-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-1,3-thiazol-2-amine (PubChem CID 56592445) has the molecular formula C22H27N7OS and a molecular weight of 437.57 g/mol. Its IUPAC name is N-(3-tert-butyl-1-ethylpyrazol-5-yl)-4-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-(3-tert-butyl-1-ethylpyrazol-5-yl)-4-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-1,3-thiazol-2-amine
PubChem CID56592445
Molecular FormulaC22H27N7OS
Molecular Weight437.57 g/mol
Exact Mass437.20
IUPAC NameN-(3-tert-butyl-1-ethylpyrazol-5-yl)-4-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-1,3-thiazol-2-amine
SMILESCCn1nc(C(C)(C)C)cc1Nc1nc(-c2ccc(-n3cnc(C)c3)c(OC)n2)cs1
InChIInChI=1S/C22H27N7OS/c1-7-29-19(10-18(27-29)22(3,4)5)26-21-25-16(12-31-21)15-8-9-17(20(24-15)30-6)28-11-14(2)23-13-28/h8-13H,7H2,1-6H3,(H,25,26)
InChIKeyVKWJKRQZZMETTI-UHFFFAOYSA-N
XLogP4.97
TPSA82.68 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.57
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(3-tert-butyl-1-ethylpyrazol-5-yl)-4-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-1,3-thiazol-2-amine?
The IUPAC name of N-(3-tert-butyl-1-ethylpyrazol-5-yl)-4-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-1,3-thiazol-2-amine (CID 56592445) is N-(3-tert-butyl-1-ethylpyrazol-5-yl)-4-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-1,3-thiazol-2-amine.
What is the SMILES notation for N-(3-tert-butyl-1-ethylpyrazol-5-yl)-4-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-1,3-thiazol-2-amine?
The canonical SMILES for N-(3-tert-butyl-1-ethylpyrazol-5-yl)-4-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-1,3-thiazol-2-amine is CCn1nc(C(C)(C)C)cc1Nc1nc(-c2ccc(-n3cnc(C)c3)c(OC)n2)cs1.
What is the InChIKey of N-(3-tert-butyl-1-ethylpyrazol-5-yl)-4-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-1,3-thiazol-2-amine?
The InChIKey is VKWJKRQZZMETTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N7OS/c1-7-29-19(10-18(27-29)22(3,4)5)26-21-25-16(12-31-21)15-8-9-17(20(24-15)30-6)28-11-14(2)23-13-28/h8-13H,7H2,1-6H3,(H,25,26).
What are the key properties of N-(3-tert-butyl-1-ethylpyrazol-5-yl)-4-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-1,3-thiazol-2-amine?
N-(3-tert-butyl-1-ethylpyrazol-5-yl)-4-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-1,3-thiazol-2-amine has a molecular weight of 437.57 g/mol, XLogP of 4.97, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-tert-butyl-1-ethylpyrazol-5-yl)-4-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 56592445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).