1-(4-tert-butyl-1,3-thiazol-2-yl)-3-(cyclopropylamino)-2-methylpropan-2-ol

C14H24N2OS — CID 79817647

IUPAC1-(4-tert-butyl-1,3-thiazol-2-yl)-3-(cyclopropylamino)-2-methylpropan-2-ol
SMILESCC(O)(CNC1CC1)Cc1nc(C(C)(C)C)cs1
InChIInChI=1S/C14H24N2OS/c1-13(2,3)11-8-18-12(16-11)7-14(4,17)9-15-10-5-6-10/h8,10,15,17H,5-7,9H2,1-4H3
InChIKeyZZSFGVQCBLZQEX-UHFFFAOYSA-N
MW268.43 g/mol
LogP2.49
Rot. Bonds5

About 1-(4-tert-butyl-1,3-thiazol-2-yl)-3-(cyclopropylamino)-2-methylpropan-2-ol

1-(4-tert-butyl-1,3-thiazol-2-yl)-3-(cyclopropylamino)-2-methylpropan-2-ol (PubChem CID 79817647) has the molecular formula C14H24N2OS and a molecular weight of 268.43 g/mol. Its IUPAC name is 1-(4-tert-butyl-1,3-thiazol-2-yl)-3-(cyclopropylamino)-2-methylpropan-2-ol.

Molecular Properties

Compound Name1-(4-tert-butyl-1,3-thiazol-2-yl)-3-(cyclopropylamino)-2-methylpropan-2-ol
PubChem CID79817647
Molecular FormulaC14H24N2OS
Molecular Weight268.43 g/mol
Exact Mass268.16
IUPAC Name1-(4-tert-butyl-1,3-thiazol-2-yl)-3-(cyclopropylamino)-2-methylpropan-2-ol
SMILESCC(O)(CNC1CC1)Cc1nc(C(C)(C)C)cs1
InChIInChI=1S/C14H24N2OS/c1-13(2,3)11-8-18-12(16-11)7-14(4,17)9-15-10-5-6-10/h8,10,15,17H,5-7,9H2,1-4H3
InChIKeyZZSFGVQCBLZQEX-UHFFFAOYSA-N
XLogP2.49
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.43
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4-tert-butyl-1,3-thiazol-2-yl)-3-(cyclopropylamino)-2-methylpropan-2-ol?
The IUPAC name of 1-(4-tert-butyl-1,3-thiazol-2-yl)-3-(cyclopropylamino)-2-methylpropan-2-ol (CID 79817647) is 1-(4-tert-butyl-1,3-thiazol-2-yl)-3-(cyclopropylamino)-2-methylpropan-2-ol.
What is the SMILES notation for 1-(4-tert-butyl-1,3-thiazol-2-yl)-3-(cyclopropylamino)-2-methylpropan-2-ol?
The canonical SMILES for 1-(4-tert-butyl-1,3-thiazol-2-yl)-3-(cyclopropylamino)-2-methylpropan-2-ol is CC(O)(CNC1CC1)Cc1nc(C(C)(C)C)cs1.
What is the InChIKey of 1-(4-tert-butyl-1,3-thiazol-2-yl)-3-(cyclopropylamino)-2-methylpropan-2-ol?
The InChIKey is ZZSFGVQCBLZQEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2OS/c1-13(2,3)11-8-18-12(16-11)7-14(4,17)9-15-10-5-6-10/h8,10,15,17H,5-7,9H2,1-4H3.
What are the key properties of 1-(4-tert-butyl-1,3-thiazol-2-yl)-3-(cyclopropylamino)-2-methylpropan-2-ol?
1-(4-tert-butyl-1,3-thiazol-2-yl)-3-(cyclopropylamino)-2-methylpropan-2-ol has a molecular weight of 268.43 g/mol, XLogP of 2.49, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-tert-butyl-1,3-thiazol-2-yl)-3-(cyclopropylamino)-2-methylpropan-2-ol is sourced from PubChem (CID 79817647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).