5-N-[4-(dimethylamino)butan-2-yl]-4-methyl-1,2-thiazole-3,5-diamine

C10H20N4S — CID 103360138

IUPAC5-N-[4-(dimethylamino)butan-2-yl]-4-methyl-1,2-thiazole-3,5-diamine
SMILESCc1c(N)nsc1NC(C)CCN(C)C
InChIInChI=1S/C10H20N4S/c1-7(5-6-14(3)4)12-10-8(2)9(11)13-15-10/h7,12H,5-6H2,1-4H3,(H2,11,13)
InChIKeyBWIOMSSZAFHKRX-UHFFFAOYSA-N
MW228.36 g/mol
LogP1.79
Rot. Bonds5

About 5-N-[4-(dimethylamino)butan-2-yl]-4-methyl-1,2-thiazole-3,5-diamine

5-N-[4-(dimethylamino)butan-2-yl]-4-methyl-1,2-thiazole-3,5-diamine (PubChem CID 103360138) has the molecular formula C10H20N4S and a molecular weight of 228.36 g/mol. Its IUPAC name is 5-N-[4-(dimethylamino)butan-2-yl]-4-methyl-1,2-thiazole-3,5-diamine.

Molecular Properties

Compound Name5-N-[4-(dimethylamino)butan-2-yl]-4-methyl-1,2-thiazole-3,5-diamine
PubChem CID103360138
Molecular FormulaC10H20N4S
Molecular Weight228.36 g/mol
Exact Mass228.14
IUPAC Name5-N-[4-(dimethylamino)butan-2-yl]-4-methyl-1,2-thiazole-3,5-diamine
SMILESCc1c(N)nsc1NC(C)CCN(C)C
InChIInChI=1S/C10H20N4S/c1-7(5-6-14(3)4)12-10-8(2)9(11)13-15-10/h7,12H,5-6H2,1-4H3,(H2,11,13)
InChIKeyBWIOMSSZAFHKRX-UHFFFAOYSA-N
XLogP1.79
TPSA54.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.36
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-N-[4-(dimethylamino)butan-2-yl]-4-methyl-1,2-thiazole-3,5-diamine?
The IUPAC name of 5-N-[4-(dimethylamino)butan-2-yl]-4-methyl-1,2-thiazole-3,5-diamine (CID 103360138) is 5-N-[4-(dimethylamino)butan-2-yl]-4-methyl-1,2-thiazole-3,5-diamine.
What is the SMILES notation for 5-N-[4-(dimethylamino)butan-2-yl]-4-methyl-1,2-thiazole-3,5-diamine?
The canonical SMILES for 5-N-[4-(dimethylamino)butan-2-yl]-4-methyl-1,2-thiazole-3,5-diamine is Cc1c(N)nsc1NC(C)CCN(C)C.
What is the InChIKey of 5-N-[4-(dimethylamino)butan-2-yl]-4-methyl-1,2-thiazole-3,5-diamine?
The InChIKey is BWIOMSSZAFHKRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N4S/c1-7(5-6-14(3)4)12-10-8(2)9(11)13-15-10/h7,12H,5-6H2,1-4H3,(H2,11,13).
What are the key properties of 5-N-[4-(dimethylamino)butan-2-yl]-4-methyl-1,2-thiazole-3,5-diamine?
5-N-[4-(dimethylamino)butan-2-yl]-4-methyl-1,2-thiazole-3,5-diamine has a molecular weight of 228.36 g/mol, XLogP of 1.79, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-[4-(dimethylamino)butan-2-yl]-4-methyl-1,2-thiazole-3,5-diamine is sourced from PubChem (CID 103360138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).