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

C9H18N4S — CID 103364802

IUPAC5-N-[1-(dimethylamino)propan-2-yl]-4-methyl-1,2-thiazole-3,5-diamine
SMILESCc1c(N)nsc1NC(C)CN(C)C
InChIInChI=1S/C9H18N4S/c1-6(5-13(3)4)11-9-7(2)8(10)12-14-9/h6,11H,5H2,1-4H3,(H2,10,12)
InChIKeyPARMHHJEAVJHLS-UHFFFAOYSA-N
MW214.34 g/mol
LogP1.40
Rot. Bonds4

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

5-N-[1-(dimethylamino)propan-2-yl]-4-methyl-1,2-thiazole-3,5-diamine (PubChem CID 103364802) has the molecular formula C9H18N4S and a molecular weight of 214.34 g/mol. Its IUPAC name is 5-N-[1-(dimethylamino)propan-2-yl]-4-methyl-1,2-thiazole-3,5-diamine.

Molecular Properties

Compound Name5-N-[1-(dimethylamino)propan-2-yl]-4-methyl-1,2-thiazole-3,5-diamine
PubChem CID103364802
Molecular FormulaC9H18N4S
Molecular Weight214.34 g/mol
Exact Mass214.13
IUPAC Name5-N-[1-(dimethylamino)propan-2-yl]-4-methyl-1,2-thiazole-3,5-diamine
SMILESCc1c(N)nsc1NC(C)CN(C)C
InChIInChI=1S/C9H18N4S/c1-6(5-13(3)4)11-9-7(2)8(10)12-14-9/h6,11H,5H2,1-4H3,(H2,10,12)
InChIKeyPARMHHJEAVJHLS-UHFFFAOYSA-N
XLogP1.40
TPSA54.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.34
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-N-[1-(dimethylamino)propan-2-yl]-4-methyl-1,2-thiazole-3,5-diamine?
The IUPAC name of 5-N-[1-(dimethylamino)propan-2-yl]-4-methyl-1,2-thiazole-3,5-diamine (CID 103364802) is 5-N-[1-(dimethylamino)propan-2-yl]-4-methyl-1,2-thiazole-3,5-diamine.
What is the SMILES notation for 5-N-[1-(dimethylamino)propan-2-yl]-4-methyl-1,2-thiazole-3,5-diamine?
The canonical SMILES for 5-N-[1-(dimethylamino)propan-2-yl]-4-methyl-1,2-thiazole-3,5-diamine is Cc1c(N)nsc1NC(C)CN(C)C.
What is the InChIKey of 5-N-[1-(dimethylamino)propan-2-yl]-4-methyl-1,2-thiazole-3,5-diamine?
The InChIKey is PARMHHJEAVJHLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N4S/c1-6(5-13(3)4)11-9-7(2)8(10)12-14-9/h6,11H,5H2,1-4H3,(H2,10,12).
What are the key properties of 5-N-[1-(dimethylamino)propan-2-yl]-4-methyl-1,2-thiazole-3,5-diamine?
5-N-[1-(dimethylamino)propan-2-yl]-4-methyl-1,2-thiazole-3,5-diamine has a molecular weight of 214.34 g/mol, XLogP of 1.40, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-[1-(dimethylamino)propan-2-yl]-4-methyl-1,2-thiazole-3,5-diamine is sourced from PubChem (CID 103364802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).