N'-cyclopropyl-N'-methyl-N-(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)ethane-1,2-diamine

C10H19N3S — CID 62980112

IUPACN'-cyclopropyl-N'-methyl-N-(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)ethane-1,2-diamine
SMILESCC1CN=C(NCCN(C)C2CC2)S1
InChIInChI=1S/C10H19N3S/c1-8-7-12-10(14-8)11-5-6-13(2)9-3-4-9/h8-9H,3-7H2,1-2H3,(H,11,12)
InChIKeyOVGAYLCFHFKOQZ-UHFFFAOYSA-N
MW213.35 g/mol
LogP1.16
Rot. Bonds4

About N'-cyclopropyl-N'-methyl-N-(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)ethane-1,2-diamine

N'-cyclopropyl-N'-methyl-N-(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)ethane-1,2-diamine (PubChem CID 62980112) has the molecular formula C10H19N3S and a molecular weight of 213.35 g/mol. Its IUPAC name is N'-cyclopropyl-N'-methyl-N-(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-cyclopropyl-N'-methyl-N-(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)ethane-1,2-diamine
PubChem CID62980112
Molecular FormulaC10H19N3S
Molecular Weight213.35 g/mol
Exact Mass213.13
IUPAC NameN'-cyclopropyl-N'-methyl-N-(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)ethane-1,2-diamine
SMILESCC1CN=C(NCCN(C)C2CC2)S1
InChIInChI=1S/C10H19N3S/c1-8-7-12-10(14-8)11-5-6-13(2)9-3-4-9/h8-9H,3-7H2,1-2H3,(H,11,12)
InChIKeyOVGAYLCFHFKOQZ-UHFFFAOYSA-N
XLogP1.16
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.35
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N'-cyclopropyl-N'-methyl-N-(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)ethane-1,2-diamine?
The IUPAC name of N'-cyclopropyl-N'-methyl-N-(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)ethane-1,2-diamine (CID 62980112) is N'-cyclopropyl-N'-methyl-N-(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)ethane-1,2-diamine.
What is the SMILES notation for N'-cyclopropyl-N'-methyl-N-(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)ethane-1,2-diamine?
The canonical SMILES for N'-cyclopropyl-N'-methyl-N-(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)ethane-1,2-diamine is CC1CN=C(NCCN(C)C2CC2)S1.
What is the InChIKey of N'-cyclopropyl-N'-methyl-N-(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)ethane-1,2-diamine?
The InChIKey is OVGAYLCFHFKOQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3S/c1-8-7-12-10(14-8)11-5-6-13(2)9-3-4-9/h8-9H,3-7H2,1-2H3,(H,11,12).
What are the key properties of N'-cyclopropyl-N'-methyl-N-(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)ethane-1,2-diamine?
N'-cyclopropyl-N'-methyl-N-(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)ethane-1,2-diamine has a molecular weight of 213.35 g/mol, XLogP of 1.16, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-cyclopropyl-N'-methyl-N-(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)ethane-1,2-diamine is sourced from PubChem (CID 62980112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).