4-methyl-2-[(4S)-4-methyl-2-[2-[(4R)-4-methyl-2-propan-2-yl-5H-1,3-thiazol-4-yl]-1,3-thiazol-4-yl]-5H-1,3-thiazol-4-yl]-1,3-thiazole

C18H22N4S4 — CID 10070906

IUPAC4-methyl-2-[(4S)-4-methyl-2-[2-[(4R)-4-methyl-2-propan-2-yl-5H-1,3-thiazol-4-yl]-1,3-thiazol-4-yl]-5H-1,3-thiazol-4-yl]-1,3-thiazole
SMILESCc1csc([C@]2(C)CSC(c3csc([C@@]4(C)CSC(C(C)C)=N4)n3)=N2)n1
InChIInChI=1S/C18H22N4S4/c1-10(2)13-21-18(5,8-25-13)16-20-12(7-24-16)14-22-17(4,9-26-14)15-19-11(3)6-23-15/h6-7,10H,8-9H2,1-5H3/t17-,18+/m0/s1
InChIKeyBDZRADRTDBWWNO-ZWKOTPCHSA-N
MW422.67 g/mol
LogP5.33
Rot. Bonds4

About 4-methyl-2-[(4S)-4-methyl-2-[2-[(4R)-4-methyl-2-propan-2-yl-5H-1,3-thiazol-4-yl]-1,3-thiazol-4-yl]-5H-1,3-thiazol-4-yl]-1,3-thiazole

4-methyl-2-[(4S)-4-methyl-2-[2-[(4R)-4-methyl-2-propan-2-yl-5H-1,3-thiazol-4-yl]-1,3-thiazol-4-yl]-5H-1,3-thiazol-4-yl]-1,3-thiazole (PubChem CID 10070906) has the molecular formula C18H22N4S4 and a molecular weight of 422.67 g/mol. Its IUPAC name is 4-methyl-2-[(4S)-4-methyl-2-[2-[(4R)-4-methyl-2-propan-2-yl-5H-1,3-thiazol-4-yl]-1,3-thiazol-4-yl]-5H-1,3-thiazol-4-yl]-1,3-thiazole.

Molecular Properties

Compound Name4-methyl-2-[(4S)-4-methyl-2-[2-[(4R)-4-methyl-2-propan-2-yl-5H-1,3-thiazol-4-yl]-1,3-thiazol-4-yl]-5H-1,3-thiazol-4-yl]-1,3-thiazole
PubChem CID10070906
Molecular FormulaC18H22N4S4
Molecular Weight422.67 g/mol
Exact Mass422.07
IUPAC Name4-methyl-2-[(4S)-4-methyl-2-[2-[(4R)-4-methyl-2-propan-2-yl-5H-1,3-thiazol-4-yl]-1,3-thiazol-4-yl]-5H-1,3-thiazol-4-yl]-1,3-thiazole
SMILESCc1csc([C@]2(C)CSC(c3csc([C@@]4(C)CSC(C(C)C)=N4)n3)=N2)n1
InChIInChI=1S/C18H22N4S4/c1-10(2)13-21-18(5,8-25-13)16-20-12(7-24-16)14-22-17(4,9-26-14)15-19-11(3)6-23-15/h6-7,10H,8-9H2,1-5H3/t17-,18+/m0/s1
InChIKeyBDZRADRTDBWWNO-ZWKOTPCHSA-N
XLogP5.33
TPSA50.50 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500422.67
LogP ≤ 55.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 4-methyl-2-[(4S)-4-methyl-2-[2-[(4R)-4-methyl-2-propan-2-yl-5H-1,3-thiazol-4-yl]-1,3-thiazol-4-yl]-5H-1,3-thiazol-4-yl]-1,3-thiazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[(4S)-4-methyl-2-[2-[(4R)-4-methyl-2-propan-2-yl-5H-1,3-thiazol-4-yl]-1,3-thiazol-4-yl]-5H-1,3-thiazol-4-yl]-1,3-thiazole?
The IUPAC name of 4-methyl-2-[(4S)-4-methyl-2-[2-[(4R)-4-methyl-2-propan-2-yl-5H-1,3-thiazol-4-yl]-1,3-thiazol-4-yl]-5H-1,3-thiazol-4-yl]-1,3-thiazole (CID 10070906) is 4-methyl-2-[(4S)-4-methyl-2-[2-[(4R)-4-methyl-2-propan-2-yl-5H-1,3-thiazol-4-yl]-1,3-thiazol-4-yl]-5H-1,3-thiazol-4-yl]-1,3-thiazole.
What is the SMILES notation for 4-methyl-2-[(4S)-4-methyl-2-[2-[(4R)-4-methyl-2-propan-2-yl-5H-1,3-thiazol-4-yl]-1,3-thiazol-4-yl]-5H-1,3-thiazol-4-yl]-1,3-thiazole?
The canonical SMILES for 4-methyl-2-[(4S)-4-methyl-2-[2-[(4R)-4-methyl-2-propan-2-yl-5H-1,3-thiazol-4-yl]-1,3-thiazol-4-yl]-5H-1,3-thiazol-4-yl]-1,3-thiazole is Cc1csc([C@]2(C)CSC(c3csc([C@@]4(C)CSC(C(C)C)=N4)n3)=N2)n1.
What is the InChIKey of 4-methyl-2-[(4S)-4-methyl-2-[2-[(4R)-4-methyl-2-propan-2-yl-5H-1,3-thiazol-4-yl]-1,3-thiazol-4-yl]-5H-1,3-thiazol-4-yl]-1,3-thiazole?
The InChIKey is BDZRADRTDBWWNO-ZWKOTPCHSA-N. The full InChI is InChI=1S/C18H22N4S4/c1-10(2)13-21-18(5,8-25-13)16-20-12(7-24-16)14-22-17(4,9-26-14)15-19-11(3)6-23-15/h6-7,10H,8-9H2,1-5H3/t17-,18+/m0/s1.
What are the key properties of 4-methyl-2-[(4S)-4-methyl-2-[2-[(4R)-4-methyl-2-propan-2-yl-5H-1,3-thiazol-4-yl]-1,3-thiazol-4-yl]-5H-1,3-thiazol-4-yl]-1,3-thiazole?
4-methyl-2-[(4S)-4-methyl-2-[2-[(4R)-4-methyl-2-propan-2-yl-5H-1,3-thiazol-4-yl]-1,3-thiazol-4-yl]-5H-1,3-thiazol-4-yl]-1,3-thiazole has a molecular weight of 422.67 g/mol, XLogP of 5.33, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[(4S)-4-methyl-2-[2-[(4R)-4-methyl-2-propan-2-yl-5H-1,3-thiazol-4-yl]-1,3-thiazol-4-yl]-5H-1,3-thiazol-4-yl]-1,3-thiazole is sourced from PubChem (CID 10070906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).