3-ethyl-1-N-(1,3-thiazol-2-yl)pentane-1,2-diamine

C10H19N3S — CID 106287080

IUPAC3-ethyl-1-N-(1,3-thiazol-2-yl)pentane-1,2-diamine
SMILESCCC(CC)C(N)CNc1nccs1
InChIInChI=1S/C10H19N3S/c1-3-8(4-2)9(11)7-13-10-12-5-6-14-10/h5-6,8-9H,3-4,7,11H2,1-2H3,(H,12,13)
InChIKeyOONGTNDPLUIQQP-UHFFFAOYSA-N
MW213.35 g/mol
LogP2.32
Rot. Bonds6

About 3-ethyl-1-N-(1,3-thiazol-2-yl)pentane-1,2-diamine

3-ethyl-1-N-(1,3-thiazol-2-yl)pentane-1,2-diamine (PubChem CID 106287080) has the molecular formula C10H19N3S and a molecular weight of 213.35 g/mol. Its IUPAC name is 3-ethyl-1-N-(1,3-thiazol-2-yl)pentane-1,2-diamine.

Molecular Properties

Compound Name3-ethyl-1-N-(1,3-thiazol-2-yl)pentane-1,2-diamine
PubChem CID106287080
Molecular FormulaC10H19N3S
Molecular Weight213.35 g/mol
Exact Mass213.13
IUPAC Name3-ethyl-1-N-(1,3-thiazol-2-yl)pentane-1,2-diamine
SMILESCCC(CC)C(N)CNc1nccs1
InChIInChI=1S/C10H19N3S/c1-3-8(4-2)9(11)7-13-10-12-5-6-14-10/h5-6,8-9H,3-4,7,11H2,1-2H3,(H,12,13)
InChIKeyOONGTNDPLUIQQP-UHFFFAOYSA-N
XLogP2.32
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.35
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-methylpropyl)-1,3-thiazol-2-amine
CID 4711878
N-(2-chloropropyl)-1,3-thiazol-2-amine
CID 65027252
3-ethyl-1-(1,3-thiazol-2-yl)pentan-2-amine
CID 105015255
1-(1,3-thiazol-2-ylamino)propan-2-ol
CID 43392072
2-N-methyl-1-N-(1,3-thiazol-2-yl)propane-1,2-diamine
CID 130505496
2-hydroxy-3-(1,3-thiazol-2-ylamino)propanamide
CID 106170836
N-(2-cyclopropylpropyl)-1,3-thiazol-2-amine
CID 115591460
N,N-diethyl-1-phenyl-N'-(1,3-thiazol-2-yl)ethane-1,2-diamine
CID 43080477
2-amino-N-(1,3-thiazol-2-yl)butanamide
CID 43649283
1-(1,3-thiazol-2-ylamino)propane-1-thiol
CID 123498240
N-(2-pyrrolidin-1-ylpropyl)-1,3-thiazol-2-amine
CID 112727052
N-butan-2-yl-2-(1,3-thiazol-2-ylamino)acetamide
CID 110693984

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-N-(1,3-thiazol-2-yl)pentane-1,2-diamine?
The IUPAC name of 3-ethyl-1-N-(1,3-thiazol-2-yl)pentane-1,2-diamine (CID 106287080) is 3-ethyl-1-N-(1,3-thiazol-2-yl)pentane-1,2-diamine.
What is the SMILES notation for 3-ethyl-1-N-(1,3-thiazol-2-yl)pentane-1,2-diamine?
The canonical SMILES for 3-ethyl-1-N-(1,3-thiazol-2-yl)pentane-1,2-diamine is CCC(CC)C(N)CNc1nccs1.
What is the InChIKey of 3-ethyl-1-N-(1,3-thiazol-2-yl)pentane-1,2-diamine?
The InChIKey is OONGTNDPLUIQQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3S/c1-3-8(4-2)9(11)7-13-10-12-5-6-14-10/h5-6,8-9H,3-4,7,11H2,1-2H3,(H,12,13).
What are the key properties of 3-ethyl-1-N-(1,3-thiazol-2-yl)pentane-1,2-diamine?
3-ethyl-1-N-(1,3-thiazol-2-yl)pentane-1,2-diamine has a molecular weight of 213.35 g/mol, XLogP of 2.32, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-N-(1,3-thiazol-2-yl)pentane-1,2-diamine is sourced from PubChem (CID 106287080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).