N'-propan-2-yl-N-(1,3-thiazol-2-yl)ethane-1,2-diamine

C8H15N3S — CID 20786153

IUPACN'-propan-2-yl-N-(1,3-thiazol-2-yl)ethane-1,2-diamine
SMILESCC(C)NCCNc1nccs1
InChIInChI=1S/C8H15N3S/c1-7(2)9-3-4-10-8-11-5-6-12-8/h5-7,9H,3-4H2,1-2H3,(H,10,11)
InChIKeySFELBHNNZXBPCX-UHFFFAOYSA-N
MW185.30 g/mol
LogP1.55
Rot. Bonds5

About N'-propan-2-yl-N-(1,3-thiazol-2-yl)ethane-1,2-diamine

N'-propan-2-yl-N-(1,3-thiazol-2-yl)ethane-1,2-diamine (PubChem CID 20786153) has the molecular formula C8H15N3S and a molecular weight of 185.30 g/mol. Its IUPAC name is N'-propan-2-yl-N-(1,3-thiazol-2-yl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-propan-2-yl-N-(1,3-thiazol-2-yl)ethane-1,2-diamine
PubChem CID20786153
Molecular FormulaC8H15N3S
Molecular Weight185.30 g/mol
Exact Mass185.10
IUPAC NameN'-propan-2-yl-N-(1,3-thiazol-2-yl)ethane-1,2-diamine
SMILESCC(C)NCCNc1nccs1
InChIInChI=1S/C8H15N3S/c1-7(2)9-3-4-10-8-11-5-6-12-8/h5-7,9H,3-4H2,1-2H3,(H,10,11)
InChIKeySFELBHNNZXBPCX-UHFFFAOYSA-N
XLogP1.55
TPSA36.95 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 ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(5-methylhexyl)-1,3-thiazol-2-amine
CID 115326150
N-(2-methylpropyl)-1,3-thiazol-2-amine
CID 4711878
N-(2-chloropropyl)-1,3-thiazol-2-amine
CID 65027252
N-propan-2-yl-4-(1,3-thiazol-2-yl)butan-1-amine
CID 79824082
4-(propan-2-ylamino)-N-(1,3-thiazol-2-yl)butane-1-sulfonamide
CID 106031673
2-(1,3-thiazol-2-ylamino)ethanethiol
CID 88739405
CID 59694819
CID 59694819
1-(1,3-thiazol-2-ylamino)propan-2-ol
CID 43392072
N-propan-2-yl-1,3-thiazol-2-amine
CID 2160964
methyl 3-(1,3-thiazol-2-ylamino)propanoate
CID 60658875
2-methyl-N'-(1,3-thiazol-2-yl)pentane-1,5-diamine
CID 106155364
2-N-methyl-1-N-(1,3-thiazol-2-yl)propane-1,2-diamine
CID 130505496

Frequently Asked Questions

What is the IUPAC name of N'-propan-2-yl-N-(1,3-thiazol-2-yl)ethane-1,2-diamine?
The IUPAC name of N'-propan-2-yl-N-(1,3-thiazol-2-yl)ethane-1,2-diamine (CID 20786153) is N'-propan-2-yl-N-(1,3-thiazol-2-yl)ethane-1,2-diamine.
What is the SMILES notation for N'-propan-2-yl-N-(1,3-thiazol-2-yl)ethane-1,2-diamine?
The canonical SMILES for N'-propan-2-yl-N-(1,3-thiazol-2-yl)ethane-1,2-diamine is CC(C)NCCNc1nccs1.
What is the InChIKey of N'-propan-2-yl-N-(1,3-thiazol-2-yl)ethane-1,2-diamine?
The InChIKey is SFELBHNNZXBPCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3S/c1-7(2)9-3-4-10-8-11-5-6-12-8/h5-7,9H,3-4H2,1-2H3,(H,10,11).
What are the key properties of N'-propan-2-yl-N-(1,3-thiazol-2-yl)ethane-1,2-diamine?
N'-propan-2-yl-N-(1,3-thiazol-2-yl)ethane-1,2-diamine has a molecular weight of 185.30 g/mol, XLogP of 1.55, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-propan-2-yl-N-(1,3-thiazol-2-yl)ethane-1,2-diamine is sourced from PubChem (CID 20786153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).