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

C8H13N3S — CID 62663409

IUPACN-cyclopropyl-N'-(1,3-thiazol-2-yl)ethane-1,2-diamine
SMILESc1csc(NCCNC2CC2)n1
InChIInChI=1S/C8H13N3S/c1-2-7(1)9-3-4-10-8-11-5-6-12-8/h5-7,9H,1-4H2,(H,10,11)
InChIKeyKSVDIUPAWQUXJH-UHFFFAOYSA-N
MW183.28 g/mol
LogP1.31
Rot. Bonds5

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

N-cyclopropyl-N'-(1,3-thiazol-2-yl)ethane-1,2-diamine (PubChem CID 62663409) has the molecular formula C8H13N3S and a molecular weight of 183.28 g/mol. Its IUPAC name is N-cyclopropyl-N'-(1,3-thiazol-2-yl)ethane-1,2-diamine.

Molecular Properties

Compound NameN-cyclopropyl-N'-(1,3-thiazol-2-yl)ethane-1,2-diamine
PubChem CID62663409
Molecular FormulaC8H13N3S
Molecular Weight183.28 g/mol
Exact Mass183.08
IUPAC NameN-cyclopropyl-N'-(1,3-thiazol-2-yl)ethane-1,2-diamine
SMILESc1csc(NCCNC2CC2)n1
InChIInChI=1S/C8H13N3S/c1-2-7(1)9-3-4-10-8-11-5-6-12-8/h5-7,9H,1-4H2,(H,10,11)
InChIKeyKSVDIUPAWQUXJH-UHFFFAOYSA-N
XLogP1.31
TPSA36.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.28
LogP ≤ 51.31
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-(2-cyclopentyloxyethyl)-1,3-thiazol-2-amine
CID 60965150
N-(2-cyclohexyloxyethyl)-1,3-thiazol-2-amine
CID 61063883
CID 59694819
CID 59694819
2-(1,3-thiazol-2-ylamino)ethanethiol
CID 88739405
N-(2-pyrrolidin-1-ylethyl)-1,3-thiazol-2-amine
CID 60659943
N-cyclopropyl-N'-pyrimidin-2-ylethane-1,2-diamine
CID 62663057
N'-propan-2-yl-N-(1,3-thiazol-2-yl)ethane-1,2-diamine
CID 20786153
N-[2-(4-methylpiperazin-1-yl)ethyl]-1,3-thiazol-2-amine
CID 60701896
N'-cyclopentyl-N-[2-(1,3-thiazol-2-yl)ethyl]ethane-1,2-diamine
CID 63240568
N-[2-(cyclopenten-1-yl)ethyl]-1,3-thiazol-2-amine
CID 106177509
N-(cyclohex-3-en-1-ylmethyl)-1,3-thiazol-2-amine
CID 78976841
N-(2-piperazin-1-ylethyl)-1,3-thiazol-2-amine
CID 43600406

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N'-(1,3-thiazol-2-yl)ethane-1,2-diamine?
The IUPAC name of N-cyclopropyl-N'-(1,3-thiazol-2-yl)ethane-1,2-diamine (CID 62663409) is N-cyclopropyl-N'-(1,3-thiazol-2-yl)ethane-1,2-diamine.
What is the SMILES notation for N-cyclopropyl-N'-(1,3-thiazol-2-yl)ethane-1,2-diamine?
The canonical SMILES for N-cyclopropyl-N'-(1,3-thiazol-2-yl)ethane-1,2-diamine is c1csc(NCCNC2CC2)n1.
What is the InChIKey of N-cyclopropyl-N'-(1,3-thiazol-2-yl)ethane-1,2-diamine?
The InChIKey is KSVDIUPAWQUXJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3S/c1-2-7(1)9-3-4-10-8-11-5-6-12-8/h5-7,9H,1-4H2,(H,10,11).
What are the key properties of N-cyclopropyl-N'-(1,3-thiazol-2-yl)ethane-1,2-diamine?
N-cyclopropyl-N'-(1,3-thiazol-2-yl)ethane-1,2-diamine has a molecular weight of 183.28 g/mol, XLogP of 1.31, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N'-(1,3-thiazol-2-yl)ethane-1,2-diamine is sourced from PubChem (CID 62663409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).