[4-(2-methylpropyl)-2-(2-methylpropylsulfanylmethyl)-1,3-thiazol-5-yl]methanamine

C13H24N2S2 — CID 114361998

IUPAC[4-(2-methylpropyl)-2-(2-methylpropylsulfanylmethyl)-1,3-thiazol-5-yl]methanamine
SMILESCC(C)CSCc1nc(CC(C)C)c(CN)s1
InChIInChI=1S/C13H24N2S2/c1-9(2)5-11-12(6-14)17-13(15-11)8-16-7-10(3)4/h9-10H,5-8,14H2,1-4H3
InChIKeyHRDVUMGCULXQAC-UHFFFAOYSA-N
MW272.48 g/mol
LogP3.69
Rot. Bonds7

About [4-(2-methylpropyl)-2-(2-methylpropylsulfanylmethyl)-1,3-thiazol-5-yl]methanamine

[4-(2-methylpropyl)-2-(2-methylpropylsulfanylmethyl)-1,3-thiazol-5-yl]methanamine (PubChem CID 114361998) has the molecular formula C13H24N2S2 and a molecular weight of 272.48 g/mol. Its IUPAC name is [4-(2-methylpropyl)-2-(2-methylpropylsulfanylmethyl)-1,3-thiazol-5-yl]methanamine.

Molecular Properties

Compound Name[4-(2-methylpropyl)-2-(2-methylpropylsulfanylmethyl)-1,3-thiazol-5-yl]methanamine
PubChem CID114361998
Molecular FormulaC13H24N2S2
Molecular Weight272.48 g/mol
Exact Mass272.14
IUPAC Name[4-(2-methylpropyl)-2-(2-methylpropylsulfanylmethyl)-1,3-thiazol-5-yl]methanamine
SMILESCC(C)CSCc1nc(CC(C)C)c(CN)s1
InChIInChI=1S/C13H24N2S2/c1-9(2)5-11-12(6-14)17-13(15-11)8-16-7-10(3)4/h9-10H,5-8,14H2,1-4H3
InChIKeyHRDVUMGCULXQAC-UHFFFAOYSA-N
XLogP3.69
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.48
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [4-(2-methylpropyl)-2-(2-methylpropylsulfanylmethyl)-1,3-thiazol-5-yl]methanamine?
The IUPAC name of [4-(2-methylpropyl)-2-(2-methylpropylsulfanylmethyl)-1,3-thiazol-5-yl]methanamine (CID 114361998) is [4-(2-methylpropyl)-2-(2-methylpropylsulfanylmethyl)-1,3-thiazol-5-yl]methanamine.
What is the SMILES notation for [4-(2-methylpropyl)-2-(2-methylpropylsulfanylmethyl)-1,3-thiazol-5-yl]methanamine?
The canonical SMILES for [4-(2-methylpropyl)-2-(2-methylpropylsulfanylmethyl)-1,3-thiazol-5-yl]methanamine is CC(C)CSCc1nc(CC(C)C)c(CN)s1.
What is the InChIKey of [4-(2-methylpropyl)-2-(2-methylpropylsulfanylmethyl)-1,3-thiazol-5-yl]methanamine?
The InChIKey is HRDVUMGCULXQAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2S2/c1-9(2)5-11-12(6-14)17-13(15-11)8-16-7-10(3)4/h9-10H,5-8,14H2,1-4H3.
What are the key properties of [4-(2-methylpropyl)-2-(2-methylpropylsulfanylmethyl)-1,3-thiazol-5-yl]methanamine?
[4-(2-methylpropyl)-2-(2-methylpropylsulfanylmethyl)-1,3-thiazol-5-yl]methanamine has a molecular weight of 272.48 g/mol, XLogP of 3.69, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-methylpropyl)-2-(2-methylpropylsulfanylmethyl)-1,3-thiazol-5-yl]methanamine is sourced from PubChem (CID 114361998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).