4-[[methyl(propan-2-yl)amino]methyl]-1,3-thiazol-2-amine

C8H15N3S — CID 21090604

IUPAC4-[[methyl(propan-2-yl)amino]methyl]-1,3-thiazol-2-amine
SMILESCC(C)N(C)Cc1csc(N)n1
InChIInChI=1S/C8H15N3S/c1-6(2)11(3)4-7-5-12-8(9)10-7/h5-6H,4H2,1-3H3,(H2,9,10)
InChIKeyUTEIIWKZAKALBH-UHFFFAOYSA-N
MW185.30 g/mol
LogP1.57
Rot. Bonds3

About 4-[[methyl(propan-2-yl)amino]methyl]-1,3-thiazol-2-amine

4-[[methyl(propan-2-yl)amino]methyl]-1,3-thiazol-2-amine (PubChem CID 21090604) has the molecular formula C8H15N3S and a molecular weight of 185.30 g/mol. Its IUPAC name is 4-[[methyl(propan-2-yl)amino]methyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-[[methyl(propan-2-yl)amino]methyl]-1,3-thiazol-2-amine
PubChem CID21090604
Molecular FormulaC8H15N3S
Molecular Weight185.30 g/mol
Exact Mass185.10
IUPAC Name4-[[methyl(propan-2-yl)amino]methyl]-1,3-thiazol-2-amine
SMILESCC(C)N(C)Cc1csc(N)n1
InChIInChI=1S/C8H15N3S/c1-6(2)11(3)4-7-5-12-8(9)10-7/h5-6H,4H2,1-3H3,(H2,9,10)
InChIKeyUTEIIWKZAKALBH-UHFFFAOYSA-N
XLogP1.57
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.30
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[bis(3-methylbutyl)amino]methyl]-1,3-thiazol-2-amine
CID 114011149
ethane;4-(2-methylpropyl)-1,3-thiazol-2-amine
CID 142312130
4-[(dipropylamino)methyl]-1,3-thiazol-2-amine;dihydrochloride
CID 72716242
2-(2-amino-1,3-thiazol-4-yl)-N-[3-[methyl(propan-2-yl)amino]propyl]acetamide
CID 106047664
N-[[4-(chloromethyl)-1,3-thiazol-2-yl]methyl]-N-methylpropan-2-amine
CID 43138343
4-[[methyl-[(3-methylphenyl)methyl]amino]methyl]-1,3-thiazol-2-amine
CID 61414352
4-[2-[bis(2-methylpropyl)amino]ethyl]-1,3-thiazol-2-amine
CID 65485437
4-[[methyl-[(2-methylphenyl)methyl]amino]methyl]-1,3-thiazol-2-amine
CID 61411885
4-[2-[methoxy(methyl)amino]ethyl]-1,3-thiazol-2-amine
CID 114396487
2-N-[2-(2-amino-1,3-thiazol-4-yl)ethyl]-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine
CID 103189538
4-[2-[1-(2-chlorophenyl)ethyl-methylamino]ethyl]-1,3-thiazol-2-amine
CID 65485252
ethane;4-propyl-1,3-thiazol-2-amine
CID 155733982

Frequently Asked Questions

What is the IUPAC name of 4-[[methyl(propan-2-yl)amino]methyl]-1,3-thiazol-2-amine?
The IUPAC name of 4-[[methyl(propan-2-yl)amino]methyl]-1,3-thiazol-2-amine (CID 21090604) is 4-[[methyl(propan-2-yl)amino]methyl]-1,3-thiazol-2-amine.
What is the SMILES notation for 4-[[methyl(propan-2-yl)amino]methyl]-1,3-thiazol-2-amine?
The canonical SMILES for 4-[[methyl(propan-2-yl)amino]methyl]-1,3-thiazol-2-amine is CC(C)N(C)Cc1csc(N)n1.
What is the InChIKey of 4-[[methyl(propan-2-yl)amino]methyl]-1,3-thiazol-2-amine?
The InChIKey is UTEIIWKZAKALBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3S/c1-6(2)11(3)4-7-5-12-8(9)10-7/h5-6H,4H2,1-3H3,(H2,9,10).
What are the key properties of 4-[[methyl(propan-2-yl)amino]methyl]-1,3-thiazol-2-amine?
4-[[methyl(propan-2-yl)amino]methyl]-1,3-thiazol-2-amine has a molecular weight of 185.30 g/mol, XLogP of 1.57, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[methyl(propan-2-yl)amino]methyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 21090604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).