3-[[6-[[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]amino]-3-pyridinyl]methylamino]-2,2-dimethylpropan-1-ol

C22H31N5O2S2 — CID 5329727

IUPAC3-[[6-[[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]amino]-3-pyridinyl]methylamino]-2,2-dimethylpropan-1-ol
SMILESCC(C)(CO)CNCc1ccc(Nc2ncc(SCc3ncc(C(C)(C)C)o3)s2)nc1
InChIInChI=1S/C22H31N5O2S2/c1-21(2,3)16-10-25-18(29-16)12-30-19-11-26-20(31-19)27-17-7-6-15(9-24-17)8-23-13-22(4,5)14-28/h6-7,9-11,23,28H,8,12-14H2,1-5H3,(H,24,26,27)
InChIKeyGQTPCOMZBGFWLQ-UHFFFAOYSA-N
MW461.66 g/mol
LogP4.97
Rot. Bonds10

About 3-[[6-[[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]amino]-3-pyridinyl]methylamino]-2,2-dimethylpropan-1-ol

3-[[6-[[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]amino]-3-pyridinyl]methylamino]-2,2-dimethylpropan-1-ol (PubChem CID 5329727) has the molecular formula C22H31N5O2S2 and a molecular weight of 461.66 g/mol. Its IUPAC name is 3-[[6-[[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]amino]-3-pyridinyl]methylamino]-2,2-dimethylpropan-1-ol.

Molecular Properties

Compound Name3-[[6-[[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]amino]-3-pyridinyl]methylamino]-2,2-dimethylpropan-1-ol
PubChem CID5329727
Molecular FormulaC22H31N5O2S2
Molecular Weight461.66 g/mol
Exact Mass461.19
IUPAC Name3-[[6-[[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]amino]-3-pyridinyl]methylamino]-2,2-dimethylpropan-1-ol
SMILESCC(C)(CO)CNCc1ccc(Nc2ncc(SCc3ncc(C(C)(C)C)o3)s2)nc1
InChIInChI=1S/C22H31N5O2S2/c1-21(2,3)16-10-25-18(29-16)12-30-19-11-26-20(31-19)27-17-7-6-15(9-24-17)8-23-13-22(4,5)14-28/h6-7,9-11,23,28H,8,12-14H2,1-5H3,(H,24,26,27)
InChIKeyGQTPCOMZBGFWLQ-UHFFFAOYSA-N
XLogP4.97
TPSA96.10 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.66
LogP ≤ 54.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Analyze 3-[[6-[[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]amino]-3-pyridinyl]methylamino]-2,2-dimethylpropan-1-ol with MolForge

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Related Compounds

Bms-419437
CID 5282335
2-Amino-5-thio-substituted thiazole 39
CID 5329670
2-Amino-5-thio-substituted thiazole 47
CID 5329674
2-Aminothiazole 3
CID 5329722
2-Aminothiazole 6
CID 5329723
2-Aminothiazole 7
CID 5329724
2-Aminothiazole 8
CID 5329725
2-Aminothiazole 23
CID 5329728
5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-N-pyridin-4-yl-1,3-thiazol-2-amine
CID 44331969
1-[5-[(5-Tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]-3-(2-fluorophenyl)urea
CID 22971066
Unc-caf-181
CID 137333886
N-[5-[(E)-2-(5-tert-butyl-1,3-oxazol-2-yl)ethenyl]-1,3-thiazol-2-yl]-2-pyridin-3-ylacetamide
CID 9842218

Frequently Asked Questions

What is the IUPAC name of 3-[[6-[[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]amino]-3-pyridinyl]methylamino]-2,2-dimethylpropan-1-ol?
The IUPAC name of 3-[[6-[[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]amino]-3-pyridinyl]methylamino]-2,2-dimethylpropan-1-ol (CID 5329727) is 3-[[6-[[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]amino]-3-pyridinyl]methylamino]-2,2-dimethylpropan-1-ol.
What is the SMILES notation for 3-[[6-[[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]amino]-3-pyridinyl]methylamino]-2,2-dimethylpropan-1-ol?
The canonical SMILES for 3-[[6-[[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]amino]-3-pyridinyl]methylamino]-2,2-dimethylpropan-1-ol is CC(C)(CO)CNCc1ccc(Nc2ncc(SCc3ncc(C(C)(C)C)o3)s2)nc1.
What is the InChIKey of 3-[[6-[[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]amino]-3-pyridinyl]methylamino]-2,2-dimethylpropan-1-ol?
The InChIKey is GQTPCOMZBGFWLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31N5O2S2/c1-21(2,3)16-10-25-18(29-16)12-30-19-11-26-20(31-19)27-17-7-6-15(9-24-17)8-23-13-22(4,5)14-28/h6-7,9-11,23,28H,8,12-14H2,1-5H3,(H,24,26,27).
What are the key properties of 3-[[6-[[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]amino]-3-pyridinyl]methylamino]-2,2-dimethylpropan-1-ol?
3-[[6-[[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]amino]-3-pyridinyl]methylamino]-2,2-dimethylpropan-1-ol has a molecular weight of 461.66 g/mol, XLogP of 4.97, 10 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[6-[[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]amino]-3-pyridinyl]methylamino]-2,2-dimethylpropan-1-ol is sourced from PubChem (CID 5329727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).