1-(2-methylpropyl)-N-propan-2-ylimidazol-4-amine;4-(2-methylpropyl)-N-propan-2-yl-1,3-thiazol-2-amine

C20H37N5S — CID 163958049

IUPAC1-(2-methylpropyl)-N-propan-2-ylimidazol-4-amine;4-(2-methylpropyl)-N-propan-2-yl-1,3-thiazol-2-amine
SMILESCC(C)Cc1csc(NC(C)C)n1.CC(C)Cn1cnc(NC(C)C)c1
InChIInChI=1S/C10H19N3.C10H18N2S/c1-8(2)5-13-6-10(11-7-13)12-9(3)4;1-7(2)5-9-6-13-10(12-9)11-8(3)4/h6-9,12H,5H2,1-4H3;6-8H,5H2,1-4H3,(H,11,12)
InChIKeySFCSJKHBCBTNSF-UHFFFAOYSA-N
MW379.62 g/mol
LogP5.52
Rot. Bonds8

About 1-(2-methylpropyl)-N-propan-2-ylimidazol-4-amine;4-(2-methylpropyl)-N-propan-2-yl-1,3-thiazol-2-amine

1-(2-methylpropyl)-N-propan-2-ylimidazol-4-amine;4-(2-methylpropyl)-N-propan-2-yl-1,3-thiazol-2-amine (PubChem CID 163958049) has the molecular formula C20H37N5S and a molecular weight of 379.62 g/mol. Its IUPAC name is 1-(2-methylpropyl)-N-propan-2-ylimidazol-4-amine;4-(2-methylpropyl)-N-propan-2-yl-1,3-thiazol-2-amine.

Molecular Properties

Compound Name1-(2-methylpropyl)-N-propan-2-ylimidazol-4-amine;4-(2-methylpropyl)-N-propan-2-yl-1,3-thiazol-2-amine
PubChem CID163958049
Molecular FormulaC20H37N5S
Molecular Weight379.62 g/mol
Exact Mass379.28
IUPAC Name1-(2-methylpropyl)-N-propan-2-ylimidazol-4-amine;4-(2-methylpropyl)-N-propan-2-yl-1,3-thiazol-2-amine
SMILESCC(C)Cc1csc(NC(C)C)n1.CC(C)Cn1cnc(NC(C)C)c1
InChIInChI=1S/C10H19N3.C10H18N2S/c1-8(2)5-13-6-10(11-7-13)12-9(3)4;1-7(2)5-9-6-13-10(12-9)11-8(3)4/h6-9,12H,5H2,1-4H3;6-8H,5H2,1-4H3,(H,11,12)
InChIKeySFCSJKHBCBTNSF-UHFFFAOYSA-N
XLogP5.52
TPSA54.77 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500379.62
LogP ≤ 55.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methylpropyl)-N-propan-2-ylimidazol-4-amine;4-(2-methylpropyl)-N-propan-2-yl-1,3-thiazol-2-amine?
The IUPAC name of 1-(2-methylpropyl)-N-propan-2-ylimidazol-4-amine;4-(2-methylpropyl)-N-propan-2-yl-1,3-thiazol-2-amine (CID 163958049) is 1-(2-methylpropyl)-N-propan-2-ylimidazol-4-amine;4-(2-methylpropyl)-N-propan-2-yl-1,3-thiazol-2-amine.
What is the SMILES notation for 1-(2-methylpropyl)-N-propan-2-ylimidazol-4-amine;4-(2-methylpropyl)-N-propan-2-yl-1,3-thiazol-2-amine?
The canonical SMILES for 1-(2-methylpropyl)-N-propan-2-ylimidazol-4-amine;4-(2-methylpropyl)-N-propan-2-yl-1,3-thiazol-2-amine is CC(C)Cc1csc(NC(C)C)n1.CC(C)Cn1cnc(NC(C)C)c1.
What is the InChIKey of 1-(2-methylpropyl)-N-propan-2-ylimidazol-4-amine;4-(2-methylpropyl)-N-propan-2-yl-1,3-thiazol-2-amine?
The InChIKey is SFCSJKHBCBTNSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3.C10H18N2S/c1-8(2)5-13-6-10(11-7-13)12-9(3)4;1-7(2)5-9-6-13-10(12-9)11-8(3)4/h6-9,12H,5H2,1-4H3;6-8H,5H2,1-4H3,(H,11,12).
What are the key properties of 1-(2-methylpropyl)-N-propan-2-ylimidazol-4-amine;4-(2-methylpropyl)-N-propan-2-yl-1,3-thiazol-2-amine?
1-(2-methylpropyl)-N-propan-2-ylimidazol-4-amine;4-(2-methylpropyl)-N-propan-2-yl-1,3-thiazol-2-amine has a molecular weight of 379.62 g/mol, XLogP of 5.52, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylpropyl)-N-propan-2-ylimidazol-4-amine;4-(2-methylpropyl)-N-propan-2-yl-1,3-thiazol-2-amine is sourced from PubChem (CID 163958049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).