1-N-(1,3-thiazol-4-ylmethyl)butane-1,2-diamine

C8H15N3S — CID 63826093

IUPAC1-N-(1,3-thiazol-4-ylmethyl)butane-1,2-diamine
SMILESCCC(N)CNCc1cscn1
InChIInChI=1S/C8H15N3S/c1-2-7(9)3-10-4-8-5-12-6-11-8/h5-7,10H,2-4,9H2,1H3
InChIKeyZMBLKGKOBSXPNJ-UHFFFAOYSA-N
MW185.30 g/mol
LogP0.97
Rot. Bonds5

About 1-N-(1,3-thiazol-4-ylmethyl)butane-1,2-diamine

1-N-(1,3-thiazol-4-ylmethyl)butane-1,2-diamine (PubChem CID 63826093) has the molecular formula C8H15N3S and a molecular weight of 185.30 g/mol. Its IUPAC name is 1-N-(1,3-thiazol-4-ylmethyl)butane-1,2-diamine.

Molecular Properties

Compound Name1-N-(1,3-thiazol-4-ylmethyl)butane-1,2-diamine
PubChem CID63826093
Molecular FormulaC8H15N3S
Molecular Weight185.30 g/mol
Exact Mass185.10
IUPAC Name1-N-(1,3-thiazol-4-ylmethyl)butane-1,2-diamine
SMILESCCC(N)CNCc1cscn1
InChIInChI=1S/C8H15N3S/c1-2-7(9)3-10-4-8-5-12-6-11-8/h5-7,10H,2-4,9H2,1H3
InChIKeyZMBLKGKOBSXPNJ-UHFFFAOYSA-N
XLogP0.97
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.30
LogP ≤ 50.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-N-(1,3-thiazol-4-ylmethyl)pentane-1,2-diamine
CID 63826089
3-ethyl-1-(1,3-thiazol-4-ylmethylamino)pentan-2-ol
CID 111114947
2,2-diethoxy-N-(1,3-thiazol-4-ylmethyl)ethanamine
CID 78914468
N-(1,3-thiazol-4-ylmethyl)ethanamine;dihydrochloride
CID 75485215
2-pyrrolidin-1-yl-N-(1,3-thiazol-4-ylmethyl)propan-1-amine
CID 78968604
1,1,1-trifluoro-3-(1,3-thiazol-4-ylmethylamino)propan-2-ol
CID 103625342
5-methyl-3-[(1,3-thiazol-4-ylmethylamino)methyl]hexan-1-ol
CID 111498615
3-methyl-2-phenyl-N-(1,3-thiazol-4-ylmethyl)butan-1-amine
CID 103624008
2-methyl-3-pyrrolidin-1-yl-N-(1,3-thiazol-4-ylmethyl)propan-1-amine
CID 61222270
3-methyl-2-pyrrolidin-1-yl-N-(1,3-thiazol-4-ylmethyl)butan-1-amine
CID 61171195
2,2-diethyl-N'-(1,3-thiazol-4-ylmethyl)propane-1,3-diamine
CID 115432832
N-ethyl-2-(1,3-thiazol-4-ylmethyl)butan-1-amine
CID 62529372

Frequently Asked Questions

What is the IUPAC name of 1-N-(1,3-thiazol-4-ylmethyl)butane-1,2-diamine?
The IUPAC name of 1-N-(1,3-thiazol-4-ylmethyl)butane-1,2-diamine (CID 63826093) is 1-N-(1,3-thiazol-4-ylmethyl)butane-1,2-diamine.
What is the SMILES notation for 1-N-(1,3-thiazol-4-ylmethyl)butane-1,2-diamine?
The canonical SMILES for 1-N-(1,3-thiazol-4-ylmethyl)butane-1,2-diamine is CCC(N)CNCc1cscn1.
What is the InChIKey of 1-N-(1,3-thiazol-4-ylmethyl)butane-1,2-diamine?
The InChIKey is ZMBLKGKOBSXPNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3S/c1-2-7(9)3-10-4-8-5-12-6-11-8/h5-7,10H,2-4,9H2,1H3.
What are the key properties of 1-N-(1,3-thiazol-4-ylmethyl)butane-1,2-diamine?
1-N-(1,3-thiazol-4-ylmethyl)butane-1,2-diamine has a molecular weight of 185.30 g/mol, XLogP of 0.97, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(1,3-thiazol-4-ylmethyl)butane-1,2-diamine is sourced from PubChem (CID 63826093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).