5-N-[2-(dimethylamino)propyl]-1,2-thiazole-3,5-diamine

C8H16N4S — CID 103359279

IUPAC5-N-[2-(dimethylamino)propyl]-1,2-thiazole-3,5-diamine
SMILESCC(CNc1cc(N)ns1)N(C)C
InChIInChI=1S/C8H16N4S/c1-6(12(2)3)5-10-8-4-7(9)11-13-8/h4,6,10H,5H2,1-3H3,(H2,9,11)
InChIKeyYRLLXFIVDUQUQB-UHFFFAOYSA-N
MW200.31 g/mol
LogP1.09
Rot. Bonds4

About 5-N-[2-(dimethylamino)propyl]-1,2-thiazole-3,5-diamine

5-N-[2-(dimethylamino)propyl]-1,2-thiazole-3,5-diamine (PubChem CID 103359279) has the molecular formula C8H16N4S and a molecular weight of 200.31 g/mol. Its IUPAC name is 5-N-[2-(dimethylamino)propyl]-1,2-thiazole-3,5-diamine.

Molecular Properties

Compound Name5-N-[2-(dimethylamino)propyl]-1,2-thiazole-3,5-diamine
PubChem CID103359279
Molecular FormulaC8H16N4S
Molecular Weight200.31 g/mol
Exact Mass200.11
IUPAC Name5-N-[2-(dimethylamino)propyl]-1,2-thiazole-3,5-diamine
SMILESCC(CNc1cc(N)ns1)N(C)C
InChIInChI=1S/C8H16N4S/c1-6(12(2)3)5-10-8-4-7(9)11-13-8/h4,6,10H,5H2,1-3H3,(H2,9,11)
InChIKeyYRLLXFIVDUQUQB-UHFFFAOYSA-N
XLogP1.09
TPSA54.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.31
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-N-propan-2-yl-5-N-(2,2,2-trifluoroethyl)-1,2-thiazole-3,5-diamine
CID 103360699
5-N-propyl-5-N-(2,2,2-trifluoroethyl)-1,2-thiazole-3,5-diamine
CID 103360729
5-N-(3,3,3-trifluoropropyl)-1,2-thiazole-3,5-diamine
CID 103361151
5-N-(4,4,4-trifluorobutan-2-yl)-1,2-thiazole-3,5-diamine
CID 105942324
5-[4-(2,2,2-Trifluoroethyl)piperazin-1-yl]-1,2-thiazol-3-amine
CID 113806952
5-N-(1,1-difluoropropan-2-yl)-1,2-thiazole-3,5-diamine
CID 127011540
5-N-(2-fluoroethyl)-1,2-thiazole-3,5-diamine
CID 130505174
5-N-(3-fluoropropyl)-1,2-thiazole-3,5-diamine
CID 130505180
5-N-methyl-1,2-thiazole-3,5-diamine
CID 10057532
3-[(3-amino-1,2-thiazol-5-yl)amino]-N-butan-2-ylpropanamide
CID 103359183
5-N-(2-piperidin-1-ylpropyl)-1,2-thiazole-3,5-diamine
CID 103359195
N-[3-[(3-amino-1,2-thiazol-5-yl)amino]propyl]-N-ethylmethanesulfonamide
CID 103359211

Frequently Asked Questions

What is the IUPAC name of 5-N-[2-(dimethylamino)propyl]-1,2-thiazole-3,5-diamine?
The IUPAC name of 5-N-[2-(dimethylamino)propyl]-1,2-thiazole-3,5-diamine (CID 103359279) is 5-N-[2-(dimethylamino)propyl]-1,2-thiazole-3,5-diamine.
What is the SMILES notation for 5-N-[2-(dimethylamino)propyl]-1,2-thiazole-3,5-diamine?
The canonical SMILES for 5-N-[2-(dimethylamino)propyl]-1,2-thiazole-3,5-diamine is CC(CNc1cc(N)ns1)N(C)C.
What is the InChIKey of 5-N-[2-(dimethylamino)propyl]-1,2-thiazole-3,5-diamine?
The InChIKey is YRLLXFIVDUQUQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N4S/c1-6(12(2)3)5-10-8-4-7(9)11-13-8/h4,6,10H,5H2,1-3H3,(H2,9,11).
What are the key properties of 5-N-[2-(dimethylamino)propyl]-1,2-thiazole-3,5-diamine?
5-N-[2-(dimethylamino)propyl]-1,2-thiazole-3,5-diamine has a molecular weight of 200.31 g/mol, XLogP of 1.09, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-[2-(dimethylamino)propyl]-1,2-thiazole-3,5-diamine is sourced from PubChem (CID 103359279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).