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

C9H17N3S — CID 63826089

IUPAC1-N-(1,3-thiazol-4-ylmethyl)pentane-1,2-diamine
SMILESCCCC(N)CNCc1cscn1
InChIInChI=1S/C9H17N3S/c1-2-3-8(10)4-11-5-9-6-13-7-12-9/h6-8,11H,2-5,10H2,1H3
InChIKeyQKDKQLLPQOQCLS-UHFFFAOYSA-N
MW199.32 g/mol
LogP1.36
Rot. Bonds6

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

1-N-(1,3-thiazol-4-ylmethyl)pentane-1,2-diamine (PubChem CID 63826089) has the molecular formula C9H17N3S and a molecular weight of 199.32 g/mol. Its IUPAC name is 1-N-(1,3-thiazol-4-ylmethyl)pentane-1,2-diamine.

Molecular Properties

Compound Name1-N-(1,3-thiazol-4-ylmethyl)pentane-1,2-diamine
PubChem CID63826089
Molecular FormulaC9H17N3S
Molecular Weight199.32 g/mol
Exact Mass199.11
IUPAC Name1-N-(1,3-thiazol-4-ylmethyl)pentane-1,2-diamine
SMILESCCCC(N)CNCc1cscn1
InChIInChI=1S/C9H17N3S/c1-2-3-8(10)4-11-5-9-6-13-7-12-9/h6-8,11H,2-5,10H2,1H3
InChIKeyQKDKQLLPQOQCLS-UHFFFAOYSA-N
XLogP1.36
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.32
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-N-(1,3-thiazol-4-ylmethyl)butane-1,2-diamine
CID 63826093
2,2-diethoxy-N-(1,3-thiazol-4-ylmethyl)ethanamine
CID 78914468
N-(1,3-thiazol-4-ylmethyl)ethanamine;dihydrochloride
CID 75485215
3-ethyl-1-(1,3-thiazol-4-ylmethylamino)pentan-2-ol
CID 111114947
5-methyl-3-[(1,3-thiazol-4-ylmethylamino)methyl]hexan-1-ol
CID 111498615
3-methyl-2-pyrrolidin-1-yl-N-(1,3-thiazol-4-ylmethyl)butan-1-amine
CID 61171195
1-(2-hydroxypentyl)-3-(1,3-thiazol-4-ylmethyl)urea
CID 111338339
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-N-(1,3-thiazol-4-ylmethyl)hexan-1-amine
CID 79002634
1-N-(2-aminopentyl)pentane-1,2-diamine
CID 139611076
2-methyl-3-pyrrolidin-1-yl-N-(1,3-thiazol-4-ylmethyl)propan-1-amine
CID 61222270

Frequently Asked Questions

What is the IUPAC name of 1-N-(1,3-thiazol-4-ylmethyl)pentane-1,2-diamine?
The IUPAC name of 1-N-(1,3-thiazol-4-ylmethyl)pentane-1,2-diamine (CID 63826089) is 1-N-(1,3-thiazol-4-ylmethyl)pentane-1,2-diamine.
What is the SMILES notation for 1-N-(1,3-thiazol-4-ylmethyl)pentane-1,2-diamine?
The canonical SMILES for 1-N-(1,3-thiazol-4-ylmethyl)pentane-1,2-diamine is CCCC(N)CNCc1cscn1.
What is the InChIKey of 1-N-(1,3-thiazol-4-ylmethyl)pentane-1,2-diamine?
The InChIKey is QKDKQLLPQOQCLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3S/c1-2-3-8(10)4-11-5-9-6-13-7-12-9/h6-8,11H,2-5,10H2,1H3.
What are the key properties of 1-N-(1,3-thiazol-4-ylmethyl)pentane-1,2-diamine?
1-N-(1,3-thiazol-4-ylmethyl)pentane-1,2-diamine has a molecular weight of 199.32 g/mol, XLogP of 1.36, 6 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)pentane-1,2-diamine is sourced from PubChem (CID 63826089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).