propane-1,1-diamine;2-propyl-1,3-thiazole

C9H19N3S — CID 67654906

IUPACpropane-1,1-diamine;2-propyl-1,3-thiazole
SMILESCCC(N)N.CCCc1nccs1
InChIInChI=1S/C6H9NS.C3H10N2/c1-2-3-6-7-4-5-8-6;1-2-3(4)5/h4-5H,2-3H2,1H3;3H,2,4-5H2,1H3
InChIKeyHRXXXDDAJMTWGI-UHFFFAOYSA-N
MW201.34 g/mol
LogP1.74
Rot. Bonds3

About propane-1,1-diamine;2-propyl-1,3-thiazole

propane-1,1-diamine;2-propyl-1,3-thiazole (PubChem CID 67654906) has the molecular formula C9H19N3S and a molecular weight of 201.34 g/mol. Its IUPAC name is propane-1,1-diamine;2-propyl-1,3-thiazole.

Molecular Properties

Compound Namepropane-1,1-diamine;2-propyl-1,3-thiazole
PubChem CID67654906
Molecular FormulaC9H19N3S
Molecular Weight201.34 g/mol
Exact Mass201.13
IUPAC Namepropane-1,1-diamine;2-propyl-1,3-thiazole
SMILESCCC(N)N.CCCc1nccs1
InChIInChI=1S/C6H9NS.C3H10N2/c1-2-3-6-7-4-5-8-6;1-2-3(4)5/h4-5H,2-3H2,1H3;3H,2,4-5H2,1H3
InChIKeyHRXXXDDAJMTWGI-UHFFFAOYSA-N
XLogP1.74
TPSA64.93 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.34
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

3-ethyl-1-(1,3-thiazol-2-yl)pentan-2-amine
CID 105015255
2-amino-N-[2-(1,3-thiazol-2-yl)ethyl]pentanamide
CID 63239940
ethane;1-(1,3-thiazol-2-yl)propan-1-amine
CID 170585159
N-ethyl-N'-[2-(1,3-thiazol-2-yl)ethyl]ethane-1,2-diamine
CID 63240886
2-[(2R)-2-methylbutyl]-1,3-thiazole;sulfur dioxide
CID 175140576
6-N-ethyl-5-propyl-4-N-[2-(1,3-thiazol-2-yl)ethyl]pyrimidine-4,6-diamine
CID 80827666
3-methoxy-1-(1,3-thiazol-2-yl)pentan-2-amine
CID 116715056
N-propyl-3-(1,3-thiazol-2-yl)propan-1-amine
CID 79823745
N,2-dimethyl-4-(1,3-thiazol-2-yl)butan-1-amine
CID 79824308
2-(2-methoxyethyl)-1,3-thiazole
CID 59275905
N-(1,3-thiazol-2-ylmethyl)pentan-3-amine
CID 46784226
(2S)-2-amino-N-(1,3-thiazol-2-ylmethyl)butanamide
CID 79023405

Frequently Asked Questions

What is the IUPAC name of propane-1,1-diamine;2-propyl-1,3-thiazole?
The IUPAC name of propane-1,1-diamine;2-propyl-1,3-thiazole (CID 67654906) is propane-1,1-diamine;2-propyl-1,3-thiazole.
What is the SMILES notation for propane-1,1-diamine;2-propyl-1,3-thiazole?
The canonical SMILES for propane-1,1-diamine;2-propyl-1,3-thiazole is CCC(N)N.CCCc1nccs1.
What is the InChIKey of propane-1,1-diamine;2-propyl-1,3-thiazole?
The InChIKey is HRXXXDDAJMTWGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9NS.C3H10N2/c1-2-3-6-7-4-5-8-6;1-2-3(4)5/h4-5H,2-3H2,1H3;3H,2,4-5H2,1H3.
What are the key properties of propane-1,1-diamine;2-propyl-1,3-thiazole?
propane-1,1-diamine;2-propyl-1,3-thiazole has a molecular weight of 201.34 g/mol, XLogP of 1.74, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for propane-1,1-diamine;2-propyl-1,3-thiazole is sourced from PubChem (CID 67654906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).