N-(3,3-dimethylbutan-2-yl)-5-methyl-1,3-thiazol-2-amine;molecular hydrogen;propane

C13H28N2S — CID 170632496

IUPACN-(3,3-dimethylbutan-2-yl)-5-methyl-1,3-thiazol-2-amine;molecular hydrogen;propane
SMILESCCC.Cc1cnc(NC(C)C(C)(C)C)s1.[H][H]
InChIInChI=1S/C10H18N2S.C3H8.H2/c1-7-6-11-9(13-7)12-8(2)10(3,4)5;1-3-2;/h6,8H,1-5H3,(H,11,12);3H2,1-2H3;1H
InChIKeySKOUUNMTTZEXDR-UHFFFAOYSA-N
MW244.45 g/mol
LogP4.96
Rot. Bonds2

About N-(3,3-dimethylbutan-2-yl)-5-methyl-1,3-thiazol-2-amine;molecular hydrogen;propane

N-(3,3-dimethylbutan-2-yl)-5-methyl-1,3-thiazol-2-amine;molecular hydrogen;propane (PubChem CID 170632496) has the molecular formula C13H28N2S and a molecular weight of 244.45 g/mol. Its IUPAC name is N-(3,3-dimethylbutan-2-yl)-5-methyl-1,3-thiazol-2-amine;molecular hydrogen;propane.

Molecular Properties

Compound NameN-(3,3-dimethylbutan-2-yl)-5-methyl-1,3-thiazol-2-amine;molecular hydrogen;propane
PubChem CID170632496
Molecular FormulaC13H28N2S
Molecular Weight244.45 g/mol
Exact Mass244.20
IUPAC NameN-(3,3-dimethylbutan-2-yl)-5-methyl-1,3-thiazol-2-amine;molecular hydrogen;propane
SMILESCCC.Cc1cnc(NC(C)C(C)(C)C)s1.[H][H]
InChIInChI=1S/C10H18N2S.C3H8.H2/c1-7-6-11-9(13-7)12-8(2)10(3,4)5;1-3-2;/h6,8H,1-5H3,(H,11,12);3H2,1-2H3;1H
InChIKeySKOUUNMTTZEXDR-UHFFFAOYSA-N
XLogP4.96
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.45
LogP ≤ 54.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3,3-dimethylbutan-2-yl)-5-methyl-1,3-thiazol-2-amine;molecular hydrogen;propane?
The IUPAC name of N-(3,3-dimethylbutan-2-yl)-5-methyl-1,3-thiazol-2-amine;molecular hydrogen;propane (CID 170632496) is N-(3,3-dimethylbutan-2-yl)-5-methyl-1,3-thiazol-2-amine;molecular hydrogen;propane.
What is the SMILES notation for N-(3,3-dimethylbutan-2-yl)-5-methyl-1,3-thiazol-2-amine;molecular hydrogen;propane?
The canonical SMILES for N-(3,3-dimethylbutan-2-yl)-5-methyl-1,3-thiazol-2-amine;molecular hydrogen;propane is CCC.Cc1cnc(NC(C)C(C)(C)C)s1.[H][H].
What is the InChIKey of N-(3,3-dimethylbutan-2-yl)-5-methyl-1,3-thiazol-2-amine;molecular hydrogen;propane?
The InChIKey is SKOUUNMTTZEXDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2S.C3H8.H2/c1-7-6-11-9(13-7)12-8(2)10(3,4)5;1-3-2;/h6,8H,1-5H3,(H,11,12);3H2,1-2H3;1H.
What are the key properties of N-(3,3-dimethylbutan-2-yl)-5-methyl-1,3-thiazol-2-amine;molecular hydrogen;propane?
N-(3,3-dimethylbutan-2-yl)-5-methyl-1,3-thiazol-2-amine;molecular hydrogen;propane has a molecular weight of 244.45 g/mol, XLogP of 4.96, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3-dimethylbutan-2-yl)-5-methyl-1,3-thiazol-2-amine;molecular hydrogen;propane is sourced from PubChem (CID 170632496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).